SCHEMBL979576

SCHEMBL979576

COc1ccc(CN2CC[CH]CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
PTGIR P43119 1/20 0.61
CHKA P35790 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 2/20 0.52
PKM P14618 1/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL22468374 0.89 SIGMAR1 (0.60) SIGMAR1SMN1; SMN2PTGIRCHKAMEN1
SCHEMBL20804352 0.88 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL1043952 0.88 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL19285228 0.88 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL3171551 0.85 PTGIR (0.81) SIGMAR1SMN1; SMN2PTGIRCHKAHRH3
SCHEMBL1045927 0.85 PTGIR (0.75) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
Hydrochloric Acid SCHEMBL23850638 0.83 PTGIR (0.73) SIGMAR1SMN1; SMN2PTGIRCHKAHRH3
SCHEMBL1045386 0.83 SIGMAR1 (0.77) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL1043090 0.83 SIGMAR1 (0.77) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL1890751 0.83 PTGIR (0.78) SIGMAR1SMN1; SMN2PTGIRCHKAHRH3

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
EP-1753749-B1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP claimed
CN-102153544-A Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2011-08-17 CN 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
WO-2023088167-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-25 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
CN-102153544-B Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2015-04-29 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
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
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 (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 1734/4885SMN1; SMN2 4698/4885PTGIR 1082/4885
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 SIGMAR1 698/4885SMN1; SMN2 4492/4885PTGIR 348/4885
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 SIGMAR1 698/4885SMN1; SMN2 4492/4885PTGIR 348/4885
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) AR, NR5A1, NR5A2 SIGMAR1 705/4885SMN1; SMN2 4451/4885PTGIR 314/4885

“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.