SCHEMBL979535

SCHEMBL979535

Clc1ccc(CN2CC[CH]CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
KDM4E B2RXH2 1/20 0.67
SIGMAR1 Q99720 2/20 0.64
LSS P48449 3/20 0.55
HRH3 Q9Y5N1 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.51
DRD4 P21917 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
AKR1C3 P42330 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
POLB P06746 1/20 0.46
CXCR3 P49682 1/20 0.45

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
SCHEMBL7937990 0.82 ALDH1A1 (0.95) ALDH1A1KDM4ESIGMAR1LSSHRH3
SCHEMBL23851111 0.82 ALDH1A1 (0.87) ALDH1A1KDM4ESIGMAR1LSSHRH3
SCHEMBL27495994 0.82 L3MBTL1 (0.54) SIGMAR1HRH3MEN1KMT2A
SCHEMBL978103 0.81 ALDH1A1 (0.66) ALDH1A1HRH3MEN1KMT2AACHE
SCHEMBL27382806 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ESIGMAR1HRH3MEN1
SCHEMBL26116187 0.81 POLB (0.63) ALDH1A1KDM4ESIGMAR1HRH3MEN1
SCHEMBL8681776 0.81 ALDH1A1 (0.63) ALDH1A1KDM4ESIGMAR1HRH3MAPT
SCHEMBL8804975 0.81 DRD4 (0.51) ALDH1A1KDM4ESIGMAR1HRH3DRD4
SCHEMBL982074 0.81 MAPT (0.54) KDM4EHRH3MAPTBCHEACHE
SCHEMBL28107932 0.81 HRH3 (0.50) ALDH1A1KDM4ESIGMAR1HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753749-B1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP claimed
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US claimed
US-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US claimed
CN-1980917-A Novel indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 CN claimed
EP-1753749-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-21 EP claimed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US claimed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US claimed
WO-2005111028-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO claimed
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-03 US claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
US-5753679-A SCIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1998-05-19 US claimed
WO-2023194964-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 WO disclosed
US-9434688-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 US disclosed
EP-2078712-B1 Indole derivatives as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV (BE) 2015-06-10 EP disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 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 (3 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-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 ALDH1A1 462/4885KDM4E 2081/4885SIGMAR1 3026/4885
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 ALDH1A1 1333/4885KDM4E 1287/4885SIGMAR1 698/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP ALDH1A1 708/4885KDM4E 2403/4885SIGMAR1 860/4885

“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.