SCHEMBL2388937

SCHEMBL2388937

CCC[C@]1(O)CCN(c2ccc(C#N)c(F)c2)[C@H]1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.52
PARP1 P09874 3/20 0.36
CHRM2 P08172 2/20 0.36
USP14 P54578 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
TNK2 Q07912 1/20 0.34
TNK1 Q13470 1/20 0.34

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
SCHEMBL3275489 0.91 AR (0.54) ARPARP1CHRM2USP14
SCHEMBL2394073 0.85 AR (0.39) ARCHRM2USP14CHRM5CHRM1
SCHEMBL2390428 0.84 AR (0.52) AR
SCHEMBL2391797 0.83 AR (0.73) ARPARP1USP14
SCHEMBL2391046 0.81 AR (0.45) ARPARP1CHRM2USP14
SCHEMBL2391445 0.79 AR (0.54) AR
SCHEMBL2392083 0.79 AR (0.54) ARCHRM2
SCHEMBL2393289 0.79 AR (0.44) ARPARP1USP14
SCHEMBL2392204 0.78 AR (0.53) ARPARP1USP14
SCHEMBL2389587 0.78 AR (0.52) ARPARP1USP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098507-B1 Cyclic amine compound as androgen receptor modulator TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2098507-B1 Cyclic amine compound as androgen receptor modulator TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-2098507-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP disclosed
EP-2098507-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-09 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 (1 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-20100087506-A1 CYCLIC AMINE COMPOUND AR, FSHR, NR5A1 AR 1/4885PARP1 1933/4885CHRM2 274/4885

“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.