SCHEMBL6121111

SCHEMBL6121111

O=C(NC(=O)N1CCNCC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
SIGMAR1 Q99720 1/20 0.62
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GPR6 P46095 1/20 0.48
RECQL P46063 1/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
ALOX5 P09917 1/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29268525 0.98 GAA (0.69) GAASIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL6474890 0.84 GAA (0.96) GAAPOLBSMN1; SMN2ALDH1A1RECQL
SCHEMBL30250263 0.84 GAA (0.50) GAAPOLBSMN1; SMN2ALDH1A1ALOX15
SCHEMBL30250433 0.84 GAA (0.50) GAASIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL31298060 0.84 SIGMAR1 (0.58) GAASIGMAR1POLBALDH1A1GPR6
SCHEMBL29268522 0.84 KMT2A (0.51) GAAPOLBSMN1; SMN2ALDH1A1ALOX15
SCHEMBL30250415 0.84 KMT2A (0.65) GAAPOLBSMN1; SMN2ALDH1A1GPR6
SCHEMBL29313350 0.84 ALOX5 (0.52) GAASIGMAR1POLBSMN1; SMN2GPR6
Hydrochloric Acid SCHEMBL29268527 0.83 NPSR1 (0.49) GAAPOLBSMN1; SMN2ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL29268529 0.83 ALOX5 (0.51) GAAPOLBSMN1; SMN2GPR6ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417385-A1 COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS NEUROVENTI INC. (KR) 2024-12-19 US claimed
EP-4400494-A1 NOVEL COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS Neuroventi Inc. (KR) 2024-07-17 EP claimed
WO-2023038456-A1 NOVEL COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS 건국대학교 글로컬산학협력단 2023-03-16 WO claimed
US-20240417385-A1 COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS NEUROVENTI INC. (KR) 2024-12-19 US disclosed
EP-4400494-A1 NOVEL COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS Neuroventi Inc. (KR) 2024-07-17 EP disclosed
US-11858917-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2024-01-02 US disclosed
WO-2023038456-A1 NOVEL COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS 건국대학교 글로컬산학협력단 2023-03-16 WO disclosed
US-20220089579-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS UNIV YALE (US) 2022-03-24 US disclosed
US-11136316-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the Human Immunodeficiency Virus YALE UNIVERSITY (US) 2021-10-05 US disclosed
US-20200392121-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-17 US disclosed
US-10703743-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2020-07-07 US disclosed
US-20190002447-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-03 US disclosed
EP-2640720-B1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS YALE UNIV INC (US) 2018-10-17 EP disclosed
US-10030008-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2018-07-24 US disclosed
US-20170096415-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS UNIV YALE (US) 2017-04-06 US disclosed
US-9562038-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2017-02-07 US disclosed
EP-2640720-A2 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS Yale University, Inc. (US) 2013-09-25 EP disclosed
US-20130245040-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-19 US disclosed
WO-2012068366-A9 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS YALE UNIVERSITY (US) 2013-07-18 WO disclosed
WO-2012068366-A2 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS YALE UNIVERSITY (US) 2012-05-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240417385-A1 COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS ADCYAP1R1, GRIA1, GRIA4 GAA 19/4885SIGMAR1 3610/4885POLB 4848/4885
US-10703743-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 GAA 2255/4885SIGMAR1 2452/4885POLB 2105/4885
US-20190002447-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 GAA 2255/4885SIGMAR1 2452/4885POLB 2105/4885
US-20200392121-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 GAA 2255/4885SIGMAR1 2452/4885POLB 2105/4885
US-10030008-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 GAA 2255/4885SIGMAR1 2452/4885POLB 2105/4885
US-11858917-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 GAA 2255/4885SIGMAR1 2452/4885POLB 2105/4885
US-20170096415-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 GAA 2255/4885SIGMAR1 2452/4885POLB 2105/4885
US-20220089579-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 GAA 2255/4885SIGMAR1 2452/4885POLB 2105/4885
US-11136316-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the Human Immunodeficiency Virus CD4, HAVCR2, CD2 GAA 2255/4885SIGMAR1 2452/4885POLB 2105/4885
US-20130245040-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 GAA 2255/4885SIGMAR1 2452/4885POLB 2105/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.