SCHEMBL1746192

SCHEMBL1746192

Cc1[c]cc2c(cnn2CC(=O)N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.41
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
S1PR1 P21453 1/20 0.36
EGFR P00533 1/20 0.35
KMO O15229 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
SCHEMBL1744676 0.81 RAB9A (0.39) GRIN2BPOLBTSHRHSD17B10KMO
SCHEMBL20719072 0.76 NOTUM (0.35) KMO
SCHEMBL3341783 0.76 GRIN2B (0.42) GRIN2BNPSR1S1PR1KMO
SCHEMBL1225475 0.76 KMO (0.38) HSD17B10KMO
SCHEMBL19703378 0.75 KMO (0.60) GRIN2BNPSR1POLBTSHRHSD17B10
SCHEMBL26356567 0.74 CHEK1 (0.54) GRIN2BNPSR1S1PR1EGFRKMO
SCHEMBL3341780 0.72 NPSR1 (0.39) NPSR1
SCHEMBL19697960 0.69 MEN1 (0.49) GRIN2BNPSR1KMO
SCHEMBL1225425 0.68 TRPA1 (0.35)
SCHEMBL26448900 0.67 IRAK4 (0.41) GRIN2BNPSR1S1PR1EGFRKMO

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
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP claimed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US claimed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 GRIN2B 342/4885NPSR1 45/4885POLB 4404/4885

“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.