SCHEMBL4596538

SCHEMBL4596538

C[C@@H]1CN[C@@H](C)CN1c1ccc(C#N)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.39
AR P10275 7/20 0.38
TRPV4 Q9HBA0 1/20 0.36
TNK1 Q13470 4/20 0.35
CHRM2 P08172 2/20 0.35
TNK2 Q07912 2/20 0.35
USP14 P54578 1/20 0.34
DGAT1 O75907 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL3559757 1.00 PARP1 (0.39) PARP1ARTRPV4TNK1CHRM2
SCHEMBL4595905 1.00 PARP1 (0.39) PARP1ARTRPV4TNK1CHRM2
SCHEMBL3568982 0.88 AR (0.38) AR
SCHEMBL4597253 0.88 AR (0.38) AR
SCHEMBL4597254 0.88 AR (0.38) AR
SCHEMBL6859331 0.85 AR (0.36) ARCYP11B1CYP11B2
SCHEMBL6859327 0.85 AR (0.36) ARCYP11B1CYP11B2
SCHEMBL3570406 0.85 AR (0.36) ARCYP11B1CYP11B2
SCHEMBL13269795 0.85 AR (0.36) ARCYP11B1CYP11B2
SCHEMBL23134696 0.84 AR (0.52) ARTRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US claimed
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 EP disclosed
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 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 (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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 PARP1 2084/4885AR 2/4885TRPV4 2659/4885

“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.