SCHEMBL3107906

SCHEMBL3107906

Cc1c(O)c(O)c(C)c2c1CCNC2.NC(=O)/C=C/c1ccc(C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.39
MCHR1 Q99705 8/20 0.34
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KDR P35968 1/20 0.31
KCNH2 Q12809 1/20 0.31
PPARD Q03181 1/20 0.30

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
SCHEMBL3107913 1.00 TRPV1 (0.39) TRPV1MCHR1CYP3A4CYP3A5HTR6
SCHEMBL3099643 0.90 TRPV1 (0.38) TRPV1MCHR1CYP3A4CYP3A5HTR6
SCHEMBL3099638 0.90 TRPV1 (0.38) TRPV1MCHR1CYP3A4CYP3A5HTR6
SCHEMBL1124462 0.79 TRPV1 (0.50) TRPV1KDM4ENPC1ALDH1A1HPGD
SCHEMBL1124460 0.79 TRPV1 (0.50) TRPV1KDM4ENPC1ALDH1A1HPGD
SCHEMBL11997379 0.75 HPGD (0.41) TRPV1KDM4ENPC1HPGDRAB9A
SCHEMBL27766798 0.70 TRPV1 (0.45) TRPV1KDM4ENPC1ALDH1A1HPGD
SCHEMBL2401676 0.69 TRPV1 (0.50) TRPV1
SCHEMBL2401668 0.69 TRPV1 (0.50) TRPV1
SCHEMBL13096378 0.68 MAPT (0.41) KDM4ENPC1ALDH1A1HPGDRAB9A

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-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
EP-2181095-B1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2012-08-22 EP disclosed
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 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-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES PTGIS, ADRB2, ADRB1 TRPV1 537/4885MCHR1 1958/4885CYP3A4 1195/4885

“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.