SCHEMBL3087738

SCHEMBL3087738

COc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccccc1)CC3

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.70
TRPV1 Q8NER1 3/20 0.66
MAPT P10636 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ALOX15 P16050 3/20 0.63
HSD17B10 Q99714 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
TSHR P16473 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GAA P10253 1/20 0.62
ALOX12 P18054 1/20 0.62
MAPK1 P28482 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CFTR P13569 7/20 0.61
KDR P35968 2/20 0.61
CYP1A2 P05177 2/20 0.60

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
SCHEMBL1079313 0.88 TRPV1 (0.69) BAZ2BTRPV1MAPTKDRTP53
SCHEMBL29171356 0.85 BAZ2B (0.82) BAZ2BALOX15HSD17B10SMN1; SMN2CFTR
SCHEMBL31117591 0.83 TRPV1 (0.62) BAZ2BTRPV1MAPTMEN1KMT2A
SCHEMBL997731 0.82 TRPV1 (0.67) BAZ2BTRPV1
SCHEMBL23828307 0.82 CFTR (0.72) BAZ2BTRPV1MAPTMEN1KMT2A
SCHEMBL996796 0.81 TRPV1 (0.65) BAZ2BTRPV1
SCHEMBL997329 0.81 TRPV1 (0.67) BAZ2BTRPV1KDR
SCHEMBL621736 0.80 BAZ2B (0.59) BAZ2BTRPV1MAPTMEN1KMT2A
SCHEMBL997366 0.80 TRPV1 (0.66) BAZ2BTRPV1MAPTMEN1KMT2A
SCHEMBL997010 0.79 TRPV1 (1.00) TRPV1MAPTMEN1KMT2ACYP1A2

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-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US disclosed
US-7714132-B2 Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-05-11 US disclosed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP disclosed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US disclosed
EP-1725553-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-11-29 EP disclosed
WO-2005095397-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 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-20100234396-A1 Tetrhydropyridoindole Derivatives TPH2, TPH1, HTR5A BAZ2B 2653/4885TRPV1 299/4885MAPT 375/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C BAZ2B 2859/4885TRPV1 162/4885MAPT 155/4885

“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.