SCHEMBL4425614

SCHEMBL4425614

Cc1cccnc1N1CCN[C@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
PRKCQ Q04759 3/20 0.46
PRKCD Q05655 1/20 0.46
KIT P10721 1/20 0.45
AVPR1A P37288 1/20 0.43
HSD11B1 P28845 1/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
KHK P50053 1/20 0.41
PRKCI P41743 1/20 0.40
EPHX2 P34913 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2743003 1.00 TRPV1 (0.46) TRPV1PRKCQPRKCDKITAVPR1A
SCHEMBL232057 0.84 TRPV1 (0.47) TRPV1PRKCQPRKCDKITHSD11B1
SCHEMBL2419489 0.84 PRKCQ (0.45) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL232058 0.84 TRPV1 (0.47) TRPV1PRKCQPRKCDKITHSD11B1
SCHEMBL2421374 0.84 PRKCQ (0.45) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL2425193 0.84 PRKCQ (0.45) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL3707817 0.84 TRPV1 (0.47) TRPV1PRKCQPRKCDKITHSD11B1
SCHEMBL8651595 0.81 PDE10A (0.45) PRKCQPRKCDKIT
SCHEMBL2899849 0.80 KDM4E (0.50) PRKCQPRKCDHSD11B1
SCHEMBL1734757 0.80 EPHX2 (0.66) TRPV1HSD11B1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 TRPV1 1/4885PRKCQ 2109/4885PRKCD 1912/4885

“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.