SCHEMBL3482726

SCHEMBL3482726

CCOC(=O)c1nc(N(CC)CC)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.54
CNR2 P34972 11/20 0.54
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3481912 0.79 CNR1 (0.58) CNR1CNR2
SCHEMBL3481589 0.74 CNR1 (0.75) CNR1CNR2
SCHEMBL1629570 0.72 CNR1 (0.77) CNR1CNR2CDC7DBF4NPC1
SCHEMBL13433821 0.70 CNR1 (0.59) CNR1CNR2
SCHEMBL3482331 0.70 CNR1 (1.00) CNR1CNR2
SCHEMBL3613031 0.70 CNR1 (0.76) CNR1CNR2
SCHEMBL1628436 0.70 CNR1 (0.62) CNR1CNR2
SCHEMBL1628022 0.69 CNR1 (0.61) CNR1CNR2NPC1POLBMAPT
SCHEMBL5034238 0.68 CDC7 (0.60) CNR1CNR2CDC7DBF4NPC1
SCHEMBL5106206 0.68 CNR1 (0.56) CNR1CNR2CDC7DBF4NPC1

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-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US claimed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
WO-2008121257-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-09 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 (1 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-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CDC7 4118/4885

“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.