SCHEMBL17348341

SCHEMBL17348341

Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(Oc3ccccn3)c2)cc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NTRK1 P04629 1/20 0.36
RORC P51449 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
RHOA P61586 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL29446504 1.00 HPGD (0.40) HPGDPOLBHTR2AHTR2CHTR2B
SCHEMBL17336703 0.91 POLB (0.44) HPGDPOLBHTR2AHTR2CHTR2B
SCHEMBL19196733 0.89 POLB (0.43) HPGDPOLBHTR2AHTR2CHTR2B
SCHEMBL17348332 0.89 POLB (0.46) HPGDPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL29446499 0.89 POLB (0.46) HPGDPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL5558225 0.86 SCN9A (0.46) POLBHTR2AHTR2CCYP1A2
SCHEMBL24242699 0.85 KMT2A (0.45) HPGDPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL17348360 0.84 PTPN1 (0.48) HPGDPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL29446498 0.84 PTPN1 (0.48) HPGDPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL17336849 0.81 POLB (0.44) HPGDPOLBCYP1A2CYP3A4CYP2D6

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-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
WO-2015191630-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-17 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-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 HPGD 3189/4885POLB 3950/4885HTR2A 229/4885

“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.