SCHEMBL3096002

SCHEMBL3096002

CC(=CC(=O)O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
TBXAS1 P24557 3/20 0.42
TRPV4 Q9HBA0 1/20 0.41
HDAC4 P56524 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MLYCD O95822 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
CNR2 P34972 1/20 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
SCHEMBL3095998 1.00 NR4A1 (0.59) NR4A1NR4A2NR4A3TBXAS1TRPV4
SCHEMBL13096313 0.80 NR4A1 (0.38) NR4A1NR4A2NR4A3TRPV4HDAC4
SCHEMBL3102966 0.80 KCNQ3 (0.40) NR4A1NR4A2NR4A3TRPV4MRGPRX4
SCHEMBL3102969 0.80 KCNQ3 (0.40) NR4A1NR4A2NR4A3TRPV4MRGPRX4
SCHEMBL934659 0.80 TRPV4 (0.48) TRPV4HDAC4MRGPRX4L3MBTL1MLYCD
SCHEMBL29456932 0.80 TRPV4 (0.48) TRPV4HDAC4MRGPRX4L3MBTL1MLYCD
SCHEMBL29418677 0.78 L3MBTL1 (0.57) TRPV4MRGPRX4L3MBTL1
SCHEMBL186213 0.78 L3MBTL1 (0.57) TRPV4MRGPRX4L3MBTL1
Hydrochloric Acid SCHEMBL4727672 0.77 TRPV4 (0.46) TRPV4MRGPRX4L3MBTL1MLYCD
Hydrochloric Acid SCHEMBL21767713 0.76 L3MBTL1 (0.56) TRPV4MRGPRX4L3MBTL1

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 9 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
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
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 US disclosed
EP-2181095-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES Respiratorius AB (SE) 2010-05-05 EP 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 NR4A1 1156/4885NR4A2 1706/4885NR4A3 1959/4885

“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.