SCHEMBL4879566

SCHEMBL4879566

CCOC(=O)C1CCCN(c2ccc(C#N)c3ccccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 2/20 0.52
CASP1 P29466 1/20 0.52
MMP13 P45452 1/20 0.52
CASP7 P55210 1/20 0.52
AR P10275 4/20 0.52
ALDH1A1 P00352 8/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
S100A4 P26447 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL5432880 0.87 AR (0.49) NPSR1MAPTKDM4ETSHRCASP1
SCHEMBL1197702 0.84 TSHR (0.56) NPSR1MAPTKDM4ETSHRCASP1
SCHEMBL17599416 0.84 ALDH1A1 (0.53) NPSR1MAPTKDM4ETSHRALDH1A1
SCHEMBL4871562 0.83 AR (0.60) AR
SCHEMBL3607778 0.83 AR (0.60) AR
SCHEMBL3598593 0.83 AR (0.60) AR
SCHEMBL4877817 0.83 ALDH1A1 (0.58) MAPTKDM4EARALDH1A1MAPK1
SCHEMBL3606814 0.82 AR (0.64) KDM4EARALDH1A1HPGD
SCHEMBL17599469 0.80 ALDH1A1 (0.69) NPSR1MAPTKDM4EARALDH1A1
SCHEMBL3436332 0.79 ALDH1A1 (0.63) NPSR1MAPTKDM4EALDH1A1KMT2A

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 10 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
WO-2007092391-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2007-08-16 WO 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 NPSR1 363/4885MAPT 3702/4885KDM4E 2349/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA NPSR1 379/4885MAPT 3809/4885KDM4E 2347/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 NPSR1 363/4885MAPT 3702/4885KDM4E 2349/4885

“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.