SCHEMBL4871504

SCHEMBL4871504

CC(C)(C)OC(=O)NCC1CCCN(c2ccc(C#N)c3ccccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.50
PRMT5 O14744 1/20 0.46
IRAK1 P51617 1/20 0.45
NSD2 O96028 2/20 0.44
DRD2 P14416 2/20 0.43
NAMPT P43490 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 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
SCHEMBL4880027 0.86 AR (0.53) AR
SCHEMBL27714512 0.81 AR (0.56) AR
SCHEMBL4235266 0.81 AR (0.45) ARNSD2
SCHEMBL3603145 0.81 PIM1 (0.54) ARNSD2CKS1BSKP1SKP2
SCHEMBL10231567 0.80 AR (0.48) ARPRMT5IRAK1DRD2NAMPT
SCHEMBL14206394 0.80 DRD2 (0.49) PRMT5IRAK1DRD2NAMPTCKS1B
Hydrochloric Acid SCHEMBL4881079 0.80 AR (0.55) AR
SCHEMBL10232262 0.80 NAMPT (0.55) PRMT5IRAK1DRD2NAMPTCKS1B
SCHEMBL24986986 0.79 CKS1B (0.56) DRD2CKS1BSKP1SKP2ACACB
SCHEMBL29717179 0.79 IRAK1 (0.44) PRMT5IRAK1DRD2NAMPTCKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885PRMT5 1199/4885IRAK1 1804/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA AR 2/4885PRMT5 1276/4885IRAK1 1749/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 AR 2/4885PRMT5 1199/4885IRAK1 1804/4885

“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.