SCHEMBL3199189

SCHEMBL3199189

C[C@H]1CC[C@@H](Oc2ccc(C#N)c(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.65
AR P10275 12/20 0.51
TRPV4 Q9HBA0 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TNKS O95271 2/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TNKS2 Q9H2K2 1/20 0.40
BCL2A1 Q16548 1/20 0.39

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
SCHEMBL3184386 1.00 PGR (0.65) PGRARTRPV4SLC6A2SLC6A4
SCHEMBL3194248 1.00 PGR (0.65) PGRARTRPV4SLC6A2SLC6A4
SCHEMBL3187947 0.92 PGR (0.59) PGRARTRPV4SLC6A2SLC6A4
SCHEMBL3188688 0.86 PGR (0.62) PGRARTRPV4SLC6A2SLC6A4
SCHEMBL3177878 0.86 PGR (0.62) PGRARTRPV4SLC6A2SLC6A4
SCHEMBL15575031 0.85 PGR (0.62) PGRARTRPV4SLC6A2SLC6A4
SCHEMBL22565823 0.85 PGR (0.62) PGRARTRPV4SLC6A2SLC6A4
SCHEMBL20046664 0.85 PGR (0.62) PGRARTRPV4SLC6A2SLC6A4
SCHEMBL3193251 0.85 PGR (0.55) PGRARTRPV4SLC6A2SLC6A4
SCHEMBL15575029 0.85 PGR (0.62) PGRARTRPV4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7670613-B2 Androgen modulators PFIZER INC. (US) 2010-03-02 US disclosed
US-7670613-B2 Androgen modulators PFIZER INC. (US) 2010-03-02 US disclosed
US-7670613-B2 Androgen modulators PFIZER INC. (US) 2010-03-02 US disclosed
US-20100048517-A1 ANDROGEN MODULATORS PFIZER INC 2010-02-25 US disclosed
US-20100048517-A1 ANDROGEN MODULATORS PFIZER INC 2010-02-25 US disclosed
US-20100048517-A1 ANDROGEN MODULATORS PFIZER INC 2010-02-25 US disclosed
US-20060009427-A1 4-(2-Cyano-cyclohexyloxy)-2-trifluoromethyl-benzonitrlle, a salt, or an isomer;selective androgen receptor modulators; decrease excess sebum secretions; stimulafnts of hair growth at higher rates of cosmetically acceptable hair growth in patients with alopecia; acne; skin disorders; prostate cancer WARNER-LAMBERT COMPANY LLC 2006-01-12 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 (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-20100048517-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG PGR 62/4885AR 1/4885TRPV4 150/4885
US-20060009427-A1 4-(2-Cyano-cyclohexyloxy)-2-trifluoromethyl-benzonitrlle, a salt, or an isomer;selective androgen receptor modulators; decrease excess sebum secretions; stimulafnts of hair growth at higher rates of cosmetically acceptable hair growth in patients with alopecia; acne; skin disorders; prostate cancer AR, FSHR, MC1R PGR 225/4885AR 1/4885TRPV4 57/4885

“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.