SCHEMBL4878796

SCHEMBL4878796

N#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.50
PRKCQ Q04759 3/20 0.48
IDO1 P14902 1/20 0.47
PRKCD Q05655 2/20 0.43
CHUK O15111 1/20 0.40

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
SCHEMBL4878791 1.00 AR (0.50) ARPRKCQIDO1PRKCDCHUK
SCHEMBL4725141 0.81 PRKCQ (0.52) ARPRKCQPRKCDCHUK
SCHEMBL4877370 0.79 PGR (0.42) ARIDO1
SCHEMBL4877382 0.79 PGR (0.42) ARIDO1
SCHEMBL5241820 0.77 AR (0.43) ARIDO1
SCHEMBL4728979 0.75 PRKCQ (0.49) PRKCQPRKCDCHUK
SCHEMBL3632100 0.73 PRKCQ (0.48) PRKCQPRKCDCHUK
SCHEMBL14252159 0.73 PRKCQ (0.48) PRKCQPRKCDCHUK
SCHEMBL12820476 0.73 PRKCQ (0.48) PRKCQPRKCDCHUK
SCHEMBL12820379 0.73 PRKCQ (0.48) PRKCQPRKCDCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US claimed
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 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 (3 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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 AR 2/4885PRKCQ 4216/4885IDO1 2186/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA AR 2/4885PRKCQ 4028/4885IDO1 2264/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 AR 2/4885PRKCQ 4216/4885IDO1 2186/4885

“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.