SCHEMBL982095

SCHEMBL982095

COc1cccc(CN2CC[CH]CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.74
KDM4E B2RXH2 4/20 0.70
ALDH1A1 P00352 4/20 0.70
GAA P10253 1/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.57
TSHR P16473 1/20 0.57
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR2B P41595 1/20 0.56
CASP1 P29466 1/20 0.55
CASP4 P49662 1/20 0.55
CASP5 P51878 1/20 0.55
ATM Q13315 1/20 0.55
CMA1 P23946 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
FAAH O00519 1/20 0.54

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
SCHEMBL2400781 0.91 SIGMAR1 (0.66) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL20804357 0.90 SIGMAR1 (0.90) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL28186295 0.90 SIGMAR1 (0.90) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL3162705 0.87 SIGMAR1 (0.79) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL30774908 0.87 SIGMAR1 (0.79) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL1883482 0.85 SIGMAR1 (0.77) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL29447356 0.85 SIGMAR1 (0.77) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL3135777 0.84 CCR8 (0.61) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2089103 0.84 SIGMAR1 (0.82) SIGMAR1HTR1AHRH3
SCHEMBL14076364 0.84 SIGMAR1 (0.79) SIGMAR1KDM4EALDH1A1GAAMEN1

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 31 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-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US claimed
EP-1753749-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-21 EP 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-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
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-09-04 US disclosed
EP-1753749-B1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
US-8765782-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-07-01 US disclosed
US-8394971-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-1771413-B1 BENZOFURAN DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2011-09-21 EP disclosed
EP-1756109-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-28 EP disclosed
EP-1753749-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-21 EP disclosed
WO-2005110985-A2 INDOLE, BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
WO-2005111042-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
WO-2005111028-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US disclosed
US-20050250741-A1 non-steroidal agonists and antagonists; 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5--carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US disclosed
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-03 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 (4 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-20050250741-A1 non-steroidal agonists and antagonists; 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5--carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive AR, NR5A1, FSHR SIGMAR1 1734/4885KDM4E 816/4885ALDH1A1 1696/4885
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 SIGMAR1 698/4885KDM4E 1287/4885ALDH1A1 1333/4885
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 SIGMAR1 698/4885KDM4E 1287/4885ALDH1A1 1333/4885
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) AR, NR5A1, NR5A2 SIGMAR1 705/4885KDM4E 1127/4885ALDH1A1 1274/4885

“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.