SCHEMBL11967083

SCHEMBL11967083

OC12CCCC[C@@H]1CCC[C@H]2Nc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.57
▸ TRPV1 Q8NER1 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ KDR P35968 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ TNF P01375 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38

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
SCHEMBL11954715 1.00 TRPA1 (0.57) TRPA1TRPV1KDM4ENPC1RAB9A
SCHEMBL11895395 1.00 TRPA1 (0.57) TRPA1TRPV1KDM4ENPC1RAB9A
SCHEMBL11895522 0.85 TRPA1 (0.56) TRPA1NPC1RAB9ACNR2ALDH1A1
SCHEMBL14638 0.82 TRPA1 (0.64) TRPA1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL14637 0.80 TRPA1 (0.51) TRPA1KDM4EALDH1A1SLC6A3
SCHEMBL11967558 0.78 TRPA1 (0.74) TRPA1ALDH1A1LMNAESR1PGR
SCHEMBL11966306 0.78 TRPA1 (0.74) TRPA1ALDH1A1LMNAESR1PGR
SCHEMBL10827 0.78 TRPA1 (0.74) TRPA1ALDH1A1LMNAESR1PGR
SCHEMBL11895629 0.78 TRPA1 (0.74) TRPA1ALDH1A1LMNAESR1PGR
SCHEMBL11895419 0.78 TRPA1 (0.74) TRPA1ALDH1A1LMNAESR1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 — — 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-20120196894-A1 NOVEL TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885TRPV1 2/4885KDM4E 3915/4885

“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.

Send feedback