SCHEMBL13096313

SCHEMBL13096313

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PTPN1 P18031 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MLYCD O95822 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PDE10A Q9Y233 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
GRM4 Q14833 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
HDAC4 P56524 1/20 0.33
NAMPT P43490 1/20 0.33

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 0.80 NR4A1 (0.59) NR4A1NR4A2NR4A3MRGPRX4L3MBTL1
SCHEMBL3096002 0.80 NR4A1 (0.59) NR4A1NR4A2NR4A3MRGPRX4L3MBTL1
SCHEMBL3102966 0.79 KCNQ3 (0.40) NR4A1NR4A2NR4A3MRGPRX4L3MBTL1
SCHEMBL3102969 0.79 KCNQ3 (0.40) NR4A1NR4A2NR4A3MRGPRX4L3MBTL1
SCHEMBL31477055 0.76 TRPV4 (0.42) NR4A1NR4A2NR4A3MRGPRX4PTPN1
SCHEMBL934659 0.73 TRPV4 (0.48) MRGPRX4PTPN1L3MBTL1MLYCDTRPV4
SCHEMBL29456932 0.73 TRPV4 (0.48) MRGPRX4PTPN1L3MBTL1MLYCDTRPV4
SCHEMBL1317978 0.72 MAPK1 (0.59) PTPN1L3MBTL1TRPV4
SCHEMBL970954 0.71 NR4A1 (0.50) NR4A1NR4A2NR4A3PTPN1
SCHEMBL970955 0.71 NR4A1 (0.50) NR4A1NR4A2NR4A3PTPN1

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 4 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-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

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.