SCHEMBL221854

SCHEMBL221854

CCCc1c(F)ccc(C#N)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.42
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TRPV4 Q9HBA0 1/20 0.34
DAO P14920 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL1363736 0.86 AR (0.44) ARCYP11B1CYP11B2TRPV4HTR2A
SCHEMBL1365870 0.83 AR (0.36) ARCYP11B1CYP11B2TRPV4DAO
SCHEMBL1363872 0.83 AR (0.39) ARCYP11B1CYP11B2TRPV4DAO
SCHEMBL3333067 0.79 AR (0.41) ARCYP11B1CYP11B2TRPV4ESR1
SCHEMBL21910132 0.75 MPO (0.38) ARHTR2AALDH1A1
SCHEMBL14863560 0.75 AR (0.38) ARCYP11B1CYP11B2TRPV4HTR2A
SCHEMBL3717737 0.75 AR (0.41) ARCYP11B1CYP11B2TRPV4DAO
SCHEMBL10878832 0.74 AR (0.45) ARTRPV4HTR2AHTR2CHTR2B
SCHEMBL1365376 0.73 AR (0.46) ARCYP11B1CYP11B2TRPV4HTR2A
SCHEMBL28573127 0.72 TRPV4 (0.39) ARCYP11B1CYP11B2TRPV4

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 12 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
US-8642632-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-02-04 US disclosed
US-8642632-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-02-04 US disclosed
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20120004270-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2012-01-05 US disclosed
US-20120004270-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2012-01-05 US disclosed
WO-2010118287-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-10-14 WO disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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 (2 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-20120004270-A1 Selective Androgen Receptor Modulators AR, NR3C2, NR5A1 AR 1/4885CYP11B1 32/4885CYP11B2 19/4885
US-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 AR 1/4885CYP11B1 31/4885CYP11B2 44/4885

“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.