SCHEMBL2425193

SCHEMBL2425193

C[C@H]1CN(c2ncccc2Br)CCN1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.45
PRKCD Q05655 1/20 0.45
KIT P10721 1/20 0.44
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
HDAC1 Q13547 1/20 0.38
EPHX2 P34913 1/20 0.38
KHK P50053 1/20 0.38
PRKCI P41743 1/20 0.37

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
SCHEMBL2419489 1.00 PRKCQ (0.45) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL2421374 1.00 PRKCQ (0.45) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL4425614 0.84 TRPV1 (0.46) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL2743003 0.84 TRPV1 (0.46) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL232058 0.82 TRPV1 (0.47) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL3707817 0.82 TRPV1 (0.47) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL232057 0.82 TRPV1 (0.47) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL8651595 0.80 PDE10A (0.45) PRKCQPRKCDKIT
SCHEMBL20129734 0.80 PRKCQ (0.45) PRKCQPRKCDKITMAPK13MAPK12
SCHEMBL13116664 0.79 HTR2C (0.48) PRKCQPRKCDKITMAPK13MAPK12

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
US-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 US disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 US disclosed
EP-1551811-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Amgen Inc. (US) 2005-07-13 EP disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 US disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 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 (2 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-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 PRKCQ 3419/4885PRKCD 2747/4885KIT 139/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PRKCQ 3740/4885PRKCD 3163/4885KIT 148/4885

“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.