SCHEMBL4879640

SCHEMBL4879640

N#Cc1ccc(N2CCCC2)c2nccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
ROCK2 O75116 4/20 0.48
ROCK1 Q13464 4/20 0.48
CDC42BPB Q9Y5S2 4/20 0.48
CDC42BPA Q5VT25 2/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MAPT P10636 3/20 0.41
KCNMA1 Q12791 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL19009842 0.86 ROCK2 (0.52) ROCK2ROCK1CDC42BPBALDH1A1TLR9
SCHEMBL21661053 0.82 TLR9 (0.53) ARROCK2ROCK1CDC42BPBALDH1A1
SCHEMBL4876295 0.81 AR (0.63) ARROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL23369798 0.81 TLR8 (0.47) ARROCK2ROCK1CDC42BPBALDH1A1
SCHEMBL18980506 0.81 TLR9 (0.47) ALDH1A1LMNATLR9TLR8TLR7
SCHEMBL18980174 0.79 TLR9 (0.51) LMNATLR9TLR8TLR7KDM4E
SCHEMBL4871336 0.79 AR (0.51) ARROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL28604131 0.78 LRRK2 (0.36) ALDH1A1TLR9TLR8TLR7MAPT
SCHEMBL26354335 0.77 TLR8 (0.52) ALDH1A1LMNATLR9TLR8TLR7
SCHEMBL19021887 0.76 ALDH1A1 (0.54) ALDH1A1TLR9TLR8TLR7MAPT

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 9 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
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP 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
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 WO 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 2/4885ROCK2 4062/4885ROCK1 3825/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA AR 2/4885ROCK2 4165/4885ROCK1 3861/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 AR 2/4885ROCK2 4062/4885ROCK1 3825/4885

“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.