SCHEMBL4879675

SCHEMBL4879675

COc1ccc2c(c1)CCN(c1ccc(C#N)c3ccccc13)C2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.52
DRD5 P21918 8/20 0.52
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
AR P10275 5/20 0.50
DRD2 P14416 7/20 0.47
DRD3 P35462 7/20 0.47
DRD4 P21917 4/20 0.47
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3612141 0.83 AR (0.63) MAPTLMNAALDH1A1AR
SCHEMBL3615679 0.76 AR (0.68) AR
SCHEMBL5515881 0.75 HTR3E (0.56) DRD1DRD5MAPTLMNAALDH1A1
SCHEMBL5519074 0.75 DRD1 (0.54) DRD1DRD5MAPTLMNAALDH1A1
SCHEMBL29500305 0.74 DRD1 (0.57) DRD1DRD5MAPTLMNAALDH1A1
SCHEMBL31016425 0.74 DRD1 (0.57) DRD1DRD5MAPTLMNADRD2
SCHEMBL28457628 0.73 DRD1 (0.62) DRD1DRD5MAPTLMNADRD2
SCHEMBL3614568 0.72 AR (0.63) AR
SCHEMBL5518165 0.72 DRD1 (0.50) DRD1DRD5MAPTLMNAALDH1A1
SCHEMBL10536109 0.71 MAPT (0.62) DRD1DRD5MAPTLMNAALDH1A1

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 DRD1 4612/4885DRD5 4631/4885MAPT 3702/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA DRD1 4598/4885DRD5 4603/4885MAPT 3809/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 DRD1 4612/4885DRD5 4631/4885MAPT 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.