SCHEMBL965401

SCHEMBL965401

CCNC(=O)OCC(C)C

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
CHRNB2 P17787 2/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
CHRNA4 P43681 2/20 0.52
TSHR P16473 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.39
EPHX1 P07099 1/20 0.38
MAOB P27338 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL12107388 0.86 SMN1; SMN2 (0.58) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13681838 0.84 SMN1; SMN2 (0.56) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5247558 0.84 SMN1; SMN2 (0.56) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13224979 0.83 SMN1; SMN2 (0.59) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8381807 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12787697 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL603785 0.82 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17807372 0.82 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL603784 0.82 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4611409 0.82 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1LMNAMAPK1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101559053-A 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-10-21 CN claimed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US claimed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US claimed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP claimed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO claimed
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 US disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
EP-3288942-B1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-10-27 EP disclosed
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-10-07 US disclosed
US-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2021-04-29 US disclosed
WO-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-7247617-B2 Sixteen-member macrolide antiinfective agents KOSAN BIOSCIENCES INCORPORATED (US) 2007-07-24 US disclosed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US disclosed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP disclosed
US-20040229818-A1 Hepatitis C inhibitor compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-11-18 US disclosed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO disclosed
CN-1391474-A 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US 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 (8 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC SMN1; SMN2 2264/4885CHRNB2 3533/4885CHRNB4 4094/4885
US-20040229818-A1 Hepatitis C inhibitor compound HAVCR2, GTF3C1, RNASE1 SMN1; SMN2 4287/4885CHRNB2 4866/4885CHRNB4 4884/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 SMN1; SMN2 4581/4885CHRNB2 210/4885CHRNB4 392/4885
US-20060128642-A1 9-Ketospinosyn derivatives SNX9, NANS, BROX SMN1; SMN2 1147/4885CHRNB2 3611/4885CHRNB4 3401/4885
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 SMN1; SMN2 991/4885CHRNB2 3014/4885CHRNB4 3645/4885
US-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION PIR, PNPO, IDO1 SMN1; SMN2 4681/4885CHRNB2 3549/4885CHRNB4 3745/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 SMN1; SMN2 80/4885CHRNB2 1292/4885CHRNB4 1764/4885
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY VIP, PIN1, QPCT SMN1; SMN2 2053/4885CHRNB2 3760/4885CHRNB4 3620/4885

“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.