SCHEMBL4807904

SCHEMBL4807904

Fc1ccc(COc2ncc(-c3ccc(CS)cc3Cl)c(-c3ccc(Cl)cc3)n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.49
CNR2 P34972 3/20 0.48
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL4806724 0.92 CNR1 (0.55) CNR1CNR2
SCHEMBL4808602 0.92 CNR1 (0.56) CNR1CNR2DPP4
SCHEMBL4811623 0.92 ALDH1A1 (0.41) CNR1CNR2ALDH1A1CYP1A2USP2
SCHEMBL4803775 0.89 CNR1 (0.39) CNR1CNR2DPP4ALDH1A1CYP1A2
SCHEMBL4810311 0.86 CNR1 (0.60) CNR1CNR2ALDH1A1CYP1A2USP2
SCHEMBL14107189 0.85 CNR1 (0.49) CNR1CNR2ALDH1A1CYP1A2USP2
SCHEMBL4807899 0.85 CNR1 (0.47) CNR1CNR2DPP4ALDH1A1CYP1A2
SCHEMBL4807959 0.83 CNR1 (0.64) CNR1CNR2
SCHEMBL4808211 0.83 CNR1 (0.43) CNR1CNR2ALDH1A1CYP1A2USP2
SCHEMBL4811918 0.83 CNR1 (0.46) CNR1CNR2

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-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US disclosed
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 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 (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-20050245554-A1 Substituted pyrimidines CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885DPP4 1596/4885

“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.