SCHEMBL975741

SCHEMBL975741

CCOC(=O)c1cc2c([nH]1)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP13 P45452 4/20 0.42
MMP2 P08253 3/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1392811 0.81 HRH4 (0.51) HRH3ALDH1A1RAB9AKDM4EHPGD
SCHEMBL1004793 0.81 HRH4 (0.48) HRH3ALDH1A1RAB9AKDM4EHPGD
SCHEMBL13562340 0.80 HRH3 (0.43) HRH3ALDH1A1RAB9AKDM4EHPGD
SCHEMBL24851409 0.79 HRH4 (0.50) HRH3ALDH1A1RAB9AKDM4EHPGD
SCHEMBL21310107 0.79 HRH4 (0.50) HRH3ALDH1A1RAB9AKDM4EHPGD
SCHEMBL22509467 0.79 HRH4 (0.50) HRH3ALDH1A1RAB9AKDM4EHPGD
SCHEMBL17575660 0.79 HRH4 (0.50) HRH3ALDH1A1RAB9AKDM4EHPGD
SCHEMBL29228916 0.78 ALOX15 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL31221504 0.76 MAPK1 (0.49) HRH3ALDH1A1RAB9AKDM4EHPGD
SCHEMBL24374825 0.75 KDM4E (0.42) HRH3ALDH1A1RAB9AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409542-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2024-12-12 US disclosed
EP-4408845-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2024-08-07 EP disclosed
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 CN disclosed
WO-2023052783-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-04-06 WO disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-7932389-B2 treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis MERCK SERONO S.A. (CH) 2011-04-26 US disclosed
US-7932389-B2 treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis MERCK SERONO S.A. (CH) 2011-04-26 US disclosed
US-7932389-B2 treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis MERCK SERONO S.A. (CH) 2011-04-26 US disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO disclosed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US disclosed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US disclosed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US disclosed
EP-1768979-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-04 EP disclosed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 WO disclosed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 WO disclosed
EP-0186431-B1 ANTI-HYPERTENSIVE OCTAHYDRO-6-AZAINDOLE DIPEPTIDE DERIVATIVES Pfizer Limited (GB) 1988-02-03 EP disclosed
US-4711882-A INHIBITOR OF ANGIOTENSIN CONVERTING ENZYME; HYPOTENSIVE AND CARDIOTONIC AGENTS PFIZER INC. (US) 1987-12-08 US disclosed
EP-0186431-A1 Anti-hypertensive octahydro-6-azaindole dipeptide derivatives Pfizer Limited (GB) 1986-07-02 EP 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 (2 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-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof PNPO, NLRP3, CHRM3 HRH3 743/4885SLC6A2 4134/4885SLC6A4 3293/4885
US-20240409542-A1 NOVEL COMPOUNDS CD47, GPR119, LRBA HRH3 3491/4885SLC6A2 4791/4885SLC6A4 4785/4885

“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.