SCHEMBL1364779

SCHEMBL1364779

Cc1c(N[C@H](CO)C(=O)NNC(=O)c2ccccc2)ccc(C#N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
AR P10275 3/20 0.37
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
TACR1 P25103 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.36
CTSL P07711 7/20 0.35
CTSK P43235 4/20 0.35
CTSS P25774 3/20 0.35
CTSB P07858 2/20 0.35

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
SCHEMBL1364781 1.00 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPKMHTT
SCHEMBL1363936 0.91 AR (0.45) ALDH1A1PKMARPGR
SCHEMBL1363933 0.91 AR (0.45) ALDH1A1PKMARPGR
SCHEMBL1364613 0.83 AR (0.43) ALDH1A1ARCXCR1CXCR2KDM4E
SCHEMBL1365874 0.83 AR (0.37) ALDH1A1ARCXCR1CXCR2KDM4E
SCHEMBL1365319 0.83 AR (0.43) ALDH1A1ARCXCR1CXCR2KDM4E
SCHEMBL13748286 0.83 AR (0.37) ALDH1A1ARCXCR1CXCR2SMN1; SMN2
SCHEMBL1365875 0.83 AR (0.37) ALDH1A1ARCXCR1CXCR2KDM4E
SCHEMBL12140389 0.83 AR (0.43) ALDH1A1PKMARPGR
SCHEMBL1291367 0.82 AR (0.43) ALDH1A1LMNAMAPTPKMHTT

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 18 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-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-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-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
US-20090253758-A1 Selective androgen receptor modulators ELLIPSES PHARMA LTD (GB) 2009-10-08 US disclosed
WO-2009105214-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2009-08-27 WO 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 ALDH1A1 809/4885LMNA 1751/4885MAPT 2763/4885
US-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 ALDH1A1 910/4885LMNA 1704/4885MAPT 2594/4885
US-20130116288-A1 Selective Androgen Receptor Modulators AR, SHBG, IGF1R ALDH1A1 691/4885LMNA 1772/4885MAPT 2940/4885
US-20090253758-A1 Selective androgen receptor modulators AR, SHBG, GPR119 ALDH1A1 910/4885LMNA 1704/4885MAPT 2594/4885

“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.