SCHEMBL619231

SCHEMBL619231

COC1(C)CCN(c2ccc(CNC(=O)c3cc4cccnc4nc3C)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 1/20 0.37
PDE5A O76074 2/20 0.37
EGLN1 Q9GZT9 2/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 2/20 0.36
PRKCA P17252 1/20 0.36
PRKCQ Q04759 1/20 0.36
CNR1 P21554 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL619030 0.92 TRPV1 (0.46) TRPV1HTTSMN1; SMN2PPARGKCNH2
SCHEMBL619255 0.90 TRPV1 (0.46) TRPV1HTTSMN1; SMN2PPARGKCNH2
SCHEMBL620524 0.87 TRPV1 (0.44) TRPV1HTTSMN1; SMN2PPARGHDAC3
SCHEMBL616942 0.81 HTT (0.43) TRPV1HTTSMN1; SMN2PPARGEGLN1
SCHEMBL616635 0.81 HTT (0.39) TRPV1HTTSMN1; SMN2KCNH2PRKCA
SCHEMBL249739 0.80 HTT (0.43) TRPV1HTTSMN1; SMN2PPARGLMNA
SCHEMBL20244979 0.79 SMN1; SMN2 (0.54) HTTSMN1; SMN2PPARGEGLN1LMNA
SCHEMBL619737 0.79 HTT (0.45) TRPV1HTTSMN1; SMN2PPARGEGLN1
SCHEMBL619784 0.77 TRPV1 (0.53) TRPV1HTTSMN1; SMN2TP53
SCHEMBL617215 0.76 CSF1R (0.46) TRPV1HTTSMN1; SMN2KCNH2

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 11 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
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 248/4885HTT 4219/4885SMN1; SMN2 4137/4885

“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.