SCHEMBL6332247

SCHEMBL6332247

CCc1nc(-c2ccc(F)cc2)cn1-c1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.43
ENPP2 Q13822 2/20 0.42
GRM2 Q14416 1/20 0.42
GNRHR P30968 1/20 0.41
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
NAMPT P43490 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
PTGER4 P35408 1/20 0.39
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
MCHR1 Q99705 1/20 0.38
AKT1 P31749 1/20 0.38
CA9 Q16790 1/20 0.37

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
SCHEMBL6331660 0.88 POLB (0.40) P2RY14NAMPTPOLBCA2CA1
SCHEMBL6339222 0.85 RAB9A (0.44) GABRA2GABRB2GAAMAPTALDH1A1
SCHEMBL6331701 0.82 NAMPT (0.41) P2RY14NAMPTPOLBCA2CA1
SCHEMBL6336505 0.82 NAMPT (0.43) NAMPTCA2CA1ALDH1A1GFER
SCHEMBL6178692 0.82 CA2 (0.44) P2RY14NAMPTCA2CA1PTGER4
SCHEMBL6329645 0.81 NAMPT (0.38) P2RY14NAMPTCA2CA1PTGER4
SCHEMBL6177232 0.78 TAAR1 (0.48) GAAMAPTALDH1A1
SCHEMBL14326995 0.78 CA2 (0.55) NAMPTPOLBGAACA2CA1
SCHEMBL6178384 0.77 CA2 (0.51) CA2CA1PTGER4CA9
SCHEMBL6176352 0.77 ALDH1A1 (0.44) GABRA2GABRB2POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956050-B2 Imidazole compounds as anti-inflammatory and analgesic agents PFIZER, INC. (US) 2005-10-18 US disclosed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 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 (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-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, PTGES P2RY14 1059/4885ENPP2 1956/4885GRM2 2221/4885

“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.