SCHEMBL2391604

SCHEMBL2391604

C[C@@H]1N(c2cc(F)c(C#N)c(F)c2)CC[C@]1(C)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.55
TRPV4 Q9HBA0 1/20 0.35
KHK P50053 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
DPP4 P27487 1/20 0.32
USP14 P54578 1/20 0.31

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
SCHEMBL2390677 0.84 AR (0.40) ARTRPV4CHRM2CHRM1DPP4
SCHEMBL2388911 0.84 AR (0.40) ARTRPV4CHRM2CHRM1DPP4
SCHEMBL16223900 0.84 AR (0.40) ARTRPV4CHRM2CHRM1DPP4
SCHEMBL16223901 0.84 AR (0.40) ARTRPV4CHRM2CHRM1DPP4
SCHEMBL2394187 0.82 AR (0.40) ARTRPV4DPP4USP14
SCHEMBL2391797 0.82 AR (0.73) ARTRPV4USP14
SCHEMBL2392786 0.82 AR (0.40) ARTRPV4KHKCHRM2CHRM1
SCHEMBL2394073 0.82 AR (0.39) ARTRPV4CHRM2CHRM1DPP4
SCHEMBL2390700 0.75 AR (0.34) ARTRPV4DPP4USP14
SCHEMBL2390926 0.73 AR (0.33) ARDPP4USP14

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 9 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

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 1/4885TRPV4 1687/4885KHK 3982/4885

“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.