SCHEMBL1363694

SCHEMBL1363694

CCc1c(N[C@@H](C(=O)NNC(=O)c2ccc(C#N)cc2)[C@@H](C)O)ccc(C#N)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
PGR P06401 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
RAB9A P51151 1/20 0.32
S1PR3 Q99500 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL1363123 1.00 AR (0.39) ARPGRMEN1KMT2AMAOA
SCHEMBL12140320 1.00 AR (0.39) ARPGRMEN1KMT2AMAOA
SCHEMBL12306118 1.00 AR (0.39) ARPGRMEN1KMT2AMAOA
SCHEMBL220869 0.93 AR (0.38) ARPGRMEN1KMT2AMAOA
SCHEMBL13748053 0.92 AR (0.39) ARPGRMEN1KMT2AALDH1A1
SCHEMBL1365903 0.91 CXCR1 (0.35) RAB9AS1PR3
SCHEMBL12306463 0.89 MEN1 (0.37) ARMEN1KMT2AMAOAMAOB
SCHEMBL12140364 0.89 MEN1 (0.37) ARMEN1KMT2AMAOAMAOB
SCHEMBL12140533 0.89 MEN1 (0.37) ARMEN1KMT2AMAOAMAOB
SCHEMBL1365820 0.87 AR (0.52) ARPGRMEN1KMT2AMAOA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260028-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2014-05-07 EP disclosed
EP-2260028-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2014-05-07 EP disclosed
US-8629167-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-01-14 US disclosed
US-8629167-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-01-14 US disclosed
US-8455525-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2013-06-04 US disclosed
US-8455525-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2013-06-04 US disclosed
US-20130116288-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2013-05-09 US disclosed
US-20130116288-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2013-05-09 US disclosed
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-8067448-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2011-11-29 US disclosed
US-20110224267-A1 Selective androgen receptor modulators Radius Health,Inc. (US) 2011-09-15 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 US disclosed
US-20090253758-A1 Selective androgen receptor modulators ELLIPSES PHARMA LTD (GB) 2009-10-08 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-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, IGF1R AR 1/4885PGR 16/4885MEN1 3081/4885
US-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 AR 1/4885PGR 28/4885MEN1 2606/4885
US-20130116288-A1 Selective Androgen Receptor Modulators AR, SHBG, IGF1R AR 1/4885PGR 17/4885MEN1 3414/4885
US-20090253758-A1 Selective androgen receptor modulators AR, SHBG, GPR119 AR 1/4885PGR 28/4885MEN1 2606/4885

“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.