SCHEMBL2474490

SCHEMBL2474490

Cc1cccc(-c2ccc(C)nc2C#N)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR8 P51685 1/20 0.52
TGFBR1 P36897 8/20 0.43
CYP2A6 P11509 1/20 0.39
METAP2 P50579 1/20 0.39
USP8 P40818 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL2474598 0.81 NPC1 (0.43) CCR1CCR8TGFBR1
SCHEMBL2473010 0.80 GRM5 (0.34) CCR1CCR8TGFBR1CYP2A6USP8
SCHEMBL2470502 0.78 DYRK1B (0.38) TGFBR1USP8LRRK2
SCHEMBL18411290 0.75 TGFBR1 (0.54) CCR1CCR8TGFBR1LRRK2
SCHEMBL262916 0.75 CLK4 (0.36) USP8LRRK2
SCHEMBL31663613 0.75 TGFBR1 (0.54) CCR1CCR8TGFBR1LRRK2
SCHEMBL19207088 0.75 CCR1 (0.47) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL3389640 0.73 WNT3A (0.35) TGFBR1
SCHEMBL21083356 0.73 TGFBR1 (0.52) CCR1CCR8TGFBR1
SCHEMBL3389130 0.73 USP8 (0.38) USP8

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
WO-2012089607-A1 NOVEL COMPOUNDS WITH A 3A-AZABICYCLO [4.1.0] HEPTANE CORE ACTING ON OREXIN RECEPTORS GLAXO GROUP LIMITED (GB) 2012-07-05 WO disclosed
EP-2370426-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF Glaxo Group Limited (GB) 2011-10-05 EP disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B CCR1 3456/4885CCR8 2661/4885TGFBR1 4264/4885

“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.