SCHEMBL1077100

SCHEMBL1077100

c1ccc(CN2CCNCC23CC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
TSHR P16473 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.40
EPHX2 P34913 1/20 0.39
OPRL1 P41146 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IDH1 O75874 1/20 0.38
HTR3A P46098 1/20 0.38
CXCR4 P61073 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL6012435 0.94 SIGMAR1 (0.53) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL323276 0.90 CYP2D6 (0.52) SIGMAR1TSHRCYP2D6CYP3A4MEN1
Hydrochloric Acid SCHEMBL322816 0.89 CYP2D6 (0.51) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL21538553 0.89 MEN1 (0.50) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL323955 0.87 SIGMAR1 (0.56) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL1556809 0.86 CYP2D6 (0.50) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL4875396 0.86 CYP2D6 (0.55) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL20722446 0.86 SIGMAR1 (0.47) SIGMAR1TSHRCYP2D6CYP3A4MEN1
Hydrochloric Acid SCHEMBL322962 0.85 SIGMAR1 (0.54) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL6635233 0.85 SIGMAR1 (0.41) SIGMAR1TSHRCYP2D6CYP3A4MEN1

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
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP disclosed
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 US disclosed
EP-3886845-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-06 EP disclosed
WO-2020112581-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-04 WO disclosed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP disclosed
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO disclosed
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2008-06-19 US disclosed
US-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug EVENOU JEAN-PIERRE 2008-05-08 US disclosed
US-7358253-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2008-04-15 US disclosed
US-7235555-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-06-26 US disclosed
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease ELANCO TIERGESUNDHEIT AG (CH) 2007-02-15 US disclosed
US-20070032507-A1 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-02-08 US disclosed
US-20050119274-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1490355-A1 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2004-12-29 EP disclosed
WO-2003082859-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2003-10-09 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 (7 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-20070032507-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK SIGMAR1 2813/4885TSHR 328/4885CYP2D6 2698/4885
US-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug NFATC1, CD4, LCK SIGMAR1 3887/4885TSHR 2986/4885CYP2D6 1989/4885
US-20050119274-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK SIGMAR1 2813/4885TSHR 328/4885CYP2D6 2698/4885
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES MYLK2, LCK, DGKK SIGMAR1 2699/4885TSHR 388/4885CYP2D6 2463/4885
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU SIGMAR1 3837/4885TSHR 3557/4885CYP2D6 750/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC SIGMAR1 3905/4885TSHR 3608/4885CYP2D6 616/4885
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease DGKK, DGKG, HLA-DRB1 SIGMAR1 2482/4885TSHR 217/4885CYP2D6 3190/4885

“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.