SCHEMBL11997379

SCHEMBL11997379

Cc1c(O)c(O)c(C)c2c1CCN(C(=O)/C=C/c1ccc(C(F)(F)F)nc1)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 4/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PRLHR P49683 1/20 0.38
LMNA P02545 1/20 0.37
GPR183 P32249 3/20 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
SCHEMBL13096378 0.93 MAPT (0.41) HPGDHTTCYP1A2CYP2C9CYP2C19
SCHEMBL11997784 0.90 PTGDR2 (0.45) HPGDHTTCYP1A2CYP2C9CYP2C19
SCHEMBL3099388 0.86 TRPV1 (0.39) HPGDHTTCYP1A2CYP2C9CYP2C19
SCHEMBL3099369 0.86 TRPV1 (0.39) HPGDHTTCYP1A2CYP2C9CYP2C19
SCHEMBL31018186 0.86 TRPV1 (0.39) HPGDHTTCYP1A2CYP2C9CYP2C19
SCHEMBL11997790 0.82 PTGDR2 (0.37) HPGDHTTCYP1A2CYP2C9CYP2C19
SCHEMBL13096371 0.80 MAPT (0.40) HPGDHTTCYP1A2CYP2C9CYP2C19
SCHEMBL11997519 0.77 TRPV1 (0.38) HPGDMAPTPTGDR2TRPV1RAB9A
SCHEMBL3107906 0.75 TRPV1 (0.39) HPGDTRPV1KDM4ENPC1RAB9A
SCHEMBL3107913 0.75 TRPV1 (0.39) HPGDTRPV1KDM4ENPC1RAB9A

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-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
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
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 US disclosed
WO-2009007420-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 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 (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 HPGD 43/4885HTT 4454/4885CYP1A2 405/4885

“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.