SCHEMBL4877941

SCHEMBL4877941

CCN1CCN(CCC(=O)OC2CC3CCC(C2)N3c2ccc(C#N)c3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.53
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 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
SCHEMBL4877936 1.00 AR (0.53) ARTP53ALDH1A1TSHRCHRM2
SCHEMBL4873428 0.94 AR (0.53) ARTP53ALDH1A1TSHR
SCHEMBL4873422 0.94 AR (0.53) ARTP53ALDH1A1TSHR
SCHEMBL4878803 0.92 AR (0.55) ARTP53ALDH1A1TSHR
SCHEMBL4878807 0.92 AR (0.55) ARTP53ALDH1A1TSHR
SCHEMBL4870179 0.91 AR (0.54) AR
SCHEMBL4870191 0.91 AR (0.54) AR
SCHEMBL4874457 0.89 AR (0.53) ARTP53ALDH1A1TSHR
SCHEMBL4876399 0.89 AR (0.53) ARTP53ALDH1A1TSHR
SCHEMBL4874462 0.89 AR (0.53) ARTP53ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US claimed
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 2/4885TP53 1043/4885ALDH1A1 427/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA AR 2/4885TP53 815/4885ALDH1A1 404/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 AR 2/4885TP53 1043/4885ALDH1A1 427/4885

“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.