SCHEMBL619784

SCHEMBL619784

Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.53
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
NR3C1 P04150 1/20 0.40
KLKB1 P03952 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.39
NAMPT P43490 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL617215 0.92 CSF1R (0.46) TRPV1KDM4EHTTSMN1; SMN2NR3C1
SCHEMBL616887 0.92 CSF1R (0.47) TRPV1HTTSMN1; SMN2TP53
SCHEMBL617313 0.91 ENPP2 (0.46) TRPV1HTTSMN1; SMN2NR3C1SUCNR1
SCHEMBL619224 0.91 TRPV1 (0.43) TRPV1HTTSMN1; SMN2NR3C1KLKB1
SCHEMBL10232885 0.84 SMN1; SMN2 (0.48) HTTSMN1; SMN2NR3C1SUCNR1
SCHEMBL252248 0.84 CD38 (0.42) TRPV1HTTSMN1; SMN2NR3C1SUCNR1
SCHEMBL620104 0.83 NR3C1 (0.54) TRPV1HTTSMN1; SMN2NR3C1SUCNR1
SCHEMBL620530 0.82 TRPV1 (0.48) TRPV1HTTSMN1; SMN2TP53KLKB1
SCHEMBL617678 0.81 HTT (0.41) HTTSMN1; SMN2NR3C1SUCNR1
SCHEMBL619617 0.81 HTT (0.45) HTTSMN1; SMN2NR3C1SUCNR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP claimed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US claimed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US claimed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 TRPV1 248/4885KDM4E 3377/4885HTT 4219/4885

“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.