SCHEMBL1744668

SCHEMBL1744668

CCc1[c]cc2c(cnn2C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.34
TCF7 P36402 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
USP7 Q93009 1/20 0.34
TRPA1 O75762 1/20 0.33
NOTUM Q6P988 2/20 0.32
CDC7 O00311 1/20 0.31
ERCC1 P07992 1/20 0.31
ERCC4 Q92889 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
MAOB P27338 1/20 0.31
MPO P05164 1/20 0.30
APP P05067 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL1744824 0.80 KMO (0.33)
SCHEMBL1225425 0.77 TRPA1 (0.35) CTNNB1TCF7TRPM5TRPA1NOTUM
SCHEMBL25411271 0.75 TRPA1 (0.40) CTNNB1TCF7TRPM5TRPA1NOTUM
SCHEMBL23242393 0.72 PDE1C (0.34) CTNNB1TCF7TRPM5TRPA1NOTUM
SCHEMBL15551227 0.69 NOTUM (0.34) CTNNB1TCF7TRPM5TRPA1NOTUM
SCHEMBL17680242 0.68 NOS3 (0.39) CTNNB1TCF7TRPM5USP7TRPA1
SCHEMBL1161513 0.68 TRPA1 (0.37) CTNNB1TCF7TRPM5TRPA1NOTUM
SCHEMBL8179108 0.68 CTNNB1 (0.55) CTNNB1TCF7TRPM5USP7TRPA1
SCHEMBL10233457 0.68 TRPM5 (0.38) CTNNB1TCF7TRPM5USP7TRPA1
SCHEMBL15730358 0.67 NOTUM (0.40) CTNNB1TCF7TRPM5TRPA1NOTUM

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 CTNNB1 2317/4885TCF7 2883/4885TRPM5 59/4885

“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.