SCHEMBL979665

SCHEMBL979665

FC(F)(F)c1ccc(CN2CC[CH]CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
ALDH1A1 P00352 2/20 0.71
HIF1A Q16665 3/20 0.56
EPAS1 Q99814 3/20 0.56
CHKA P35790 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
BACE1 P56817 1/20 0.55
OPRL1 P41146 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CASP1 P29466 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
FAAH O00519 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL15309150 0.91 KDM4E (0.64) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL29586728 0.85 KDM4E (0.89) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL21620787 0.85 ALDH1A1 (0.96) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL13574523 0.83 ALDH1A1 (1.00) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL23864602 0.82 ALDH1A1 (0.67) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL978708 0.81 KCNH2 (0.52) KDM4EALDH1A1POLBSIGMAR1
SCHEMBL5316753 0.80 MCHR1 (0.53)
SCHEMBL12991443 0.80 KDM4E (0.69) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL2097422 0.80 KDM4E (0.69) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL16704827 0.80 HIF1A (0.82) KDM4EALDH1A1HIF1AEPAS1CHKA

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 41 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
CN-1980917-B Novel indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV 2014-02-12 CN 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
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
CN-105085358-A 4-substituted pyrrolidine formyl thiomorpholine DPP-IV (Dipeptidyl Peptidase IV) inhibitor INST MATERIA MEDICA CAMS 2015-11-25 CN disclosed
EP-2078712-B1 Indole derivatives as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV (BE) 2015-06-10 EP disclosed
CN-104211685-A Thiomorpholine compounds containing substituted pyrrole alkyl groups INST MATERIA MEDICA CAMS 2014-12-17 CN 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
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-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-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) 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 KDM4E 816/4885ALDH1A1 1696/4885HIF1A 1673/4885
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 KDM4E 1287/4885ALDH1A1 1333/4885HIF1A 1657/4885
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 KDM4E 1287/4885ALDH1A1 1333/4885HIF1A 1657/4885
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) AR, NR5A1, NR5A2 KDM4E 1127/4885ALDH1A1 1274/4885HIF1A 1557/4885

“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.