SCHEMBL4871243

SCHEMBL4871243

N#Cc1ccc(N2CCCC2)c2cnccc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.65
HTT P42858 3/20 0.51
MAPT P10636 2/20 0.51
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 4/20 0.45
CDC42BPB Q9Y5S2 4/20 0.45
CDC42BPA Q5VT25 2/20 0.45
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
POLB P06746 1/20 0.39
HIPK2 Q9H2X6 1/20 0.38
SLC22A12 Q96S37 2/20 0.38

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
SCHEMBL4876412 0.94 AR (0.65) ARHTTMAPTROCK2ROCK1
SCHEMBL30751784 0.80 ROCK2 (0.55) ARHTTMAPTROCK2ROCK1
SCHEMBL565865 0.80 ROCK2 (0.55) ARHTTMAPTROCK2ROCK1
SCHEMBL3601629 0.79 AR (1.00) ARALDH1A1LMNA
SCHEMBL3606687 0.78 AR (0.97) ARALDH1A1LMNA
SCHEMBL3609515 0.78 AR (0.97) ARALDH1A1LMNA
Hydrochloric Acid SCHEMBL3597770 0.76 AR (0.93) ARALDH1A1LMNA
SCHEMBL4871836 0.73 AR (0.65) ARHTTMAPTALDH1A1LMNA
SCHEMBL31175199 0.72 MAPT (0.50) HTTMAPTALDH1A1LMNAPOLB
SCHEMBL30409473 0.72 AR (0.55) ARMAPTROCK2ROCK1CDC42BPB

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
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP claimed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US claimed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 WO 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 2/4885HTT 4742/4885MAPT 3702/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA AR 2/4885HTT 4724/4885MAPT 3809/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 AR 2/4885HTT 4742/4885MAPT 3702/4885

“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.