SCHEMBL3223232

SCHEMBL3223232

CCNC1CCC(c2ccc(C#N)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
SLC6A4 P31645 1/20 0.38
CHEK1 O14757 8/20 0.37
FASN P49327 1/20 0.35
CYP2C9 P11712 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SYK P43405 1/20 0.34
S1PR1 P21453 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL3223221 1.00 ACACB (0.38) ACACBSLC6A4CHEK1FASNCYP2C9
SCHEMBL2860558 0.83 KDM4E (0.39) ACACBCHEK1FASN
SCHEMBL29989 0.81 ACACB (0.38) ACACBCHEK1FASNCYP2C9S1PR1
SCHEMBL18721893 0.79 ESR2 (0.44) ACACBCHEK1FASNCYP2C9HRH3
SCHEMBL13674322 0.78 SLC6A4 (0.50) SLC6A4FASNCYP2C9HRH3SPHK1
SCHEMBL22047801 0.76 CHEK1 (0.40) ACACBCHEK1FASNSPHK1
SCHEMBL10000790 0.76 MAPT (0.39) ACACBCYP2C9SPHK1
SCHEMBL14045979 0.76 KDM4E (0.50) CHEK1FASNHRH3
SCHEMBL16349362 0.75 MAPT (0.40) ACACBCYP2C9SPHK1
SCHEMBL3237238 0.72 ESR2 (0.46) ACACBCHEK1FASNCYP2C9HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
EP-1904435-B1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC (US) 2013-01-02 EP disclosed
US-20100069447-A1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC. 2010-03-18 US disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 US disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 US disclosed
US-20060293392-A1 Benzamide derivatives and uses related thereto AMGEN INC. 2006-12-28 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 (2 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-20060293392-A1 Benzamide derivatives and uses related thereto GPR119, GLP1R, UGT2B7 ACACB 1067/4885SLC6A4 1961/4885CHEK1 3861/4885
US-20100069447-A1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO GPR119, GLP1R, UGT2B7 ACACB 1067/4885SLC6A4 1961/4885CHEK1 3861/4885

“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.