SCHEMBL894019

SCHEMBL894019

Brc1ccc2c(c1)CNc1ccccc1C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CMA1 P23946 1/20 0.46
AHR P35869 1/20 0.46
TRPA1 O75762 1/20 0.44
PNMT P11086 8/20 0.43
ADRA2A P08913 3/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 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
SCHEMBL13098136 0.89 ALOX15 (0.66) ALOX15HSD17B10CMA1AHRTRPA1
SCHEMBL2988989 0.88 ALOX15 (0.63) ALOX15HSD17B10CMA1AHRTRPA1
SCHEMBL14084570 0.83 ALOX15 (0.52) ALOX15HSD17B10CMA1AHRTRPA1
SCHEMBL31546300 0.81 ALOX15 (1.00) ALOX15HSD17B10AHRPNMTGAA
SCHEMBL2087881 0.81 ALOX15 (1.00) ALOX15HSD17B10AHRPNMTGAA
SCHEMBL11111017 0.79 ALOX15 (0.67) ALOX15HSD17B10CMA1AHRPNMT
SCHEMBL7866841 0.79 ALOX15 (0.67) ALOX15HSD17B10AHRGAANPSR1
SCHEMBL18350153 0.79 TRPA1 (0.52) CMA1AHRTRPA1PNMTADRA2A
SCHEMBL15373652 0.77 PNMT (0.45) ALOX15HSD17B10CMA1AHRPNMT
SCHEMBL13833021 0.77 BRD4 (0.49) ALOX15HSD17B10CMA1AHRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20110124666-A1 3,4-DIHYDROPYRIMIDINE TRPA1 ANTAGONISTS Janssen Pharmaceutica NV a corporation 2011-05-26 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
WO-2009147079-A1 3,4-DIHYDROPYRIMIDINE TRPA1 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-12-10 WO disclosed
WO-2009071631-A2 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-11 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 (3 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-20110124666-A1 3,4-DIHYDROPYRIMIDINE TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV3 ALOX15 710/4885HSD17B10 3134/4885CMA1 3414/4885
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS TRPA1, TRPV1, TRPV2 ALOX15 83/4885HSD17B10 1768/4885CMA1 1227/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 ALOX15 398/4885HSD17B10 3348/4885CMA1 1012/4885

“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.