SCHEMBL250775

SCHEMBL250775

CN(C)CCOc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.53
CTSK P43235 8/20 0.53
MRGPRX4 Q96LA9 1/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 3/20 0.43
SSTR4 P31391 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL23578526 0.83 MRGPRX4 (0.50) CTSSCTSKMRGPRX4THRATHRB
SCHEMBL10088897 0.81 CTSS (0.55) CTSSCTSKMRGPRX4SSTR4TRPV4
SCHEMBL17654701 0.81 S1PR1 (0.52) CTSSCTSKMRGPRX4THRATHRB
SCHEMBL2949263 0.81 S1PR1 (0.52) CTSSCTSKMRGPRX4THRATHRB
SCHEMBL12180558 0.80 KDM4E (0.51) CTSSCTSKTHRATHRBKDM4E
SCHEMBL6248816 0.79 MRGPRX4 (0.55) CTSSCTSKMRGPRX4THRATHRB
SCHEMBL3738356 0.78 AR (0.48) MRGPRX4THRATHRBKDM4EGAA
SCHEMBL5120188 0.78 THRA (0.48) CTSSCTSKTHRATHRBKDM4E
SCHEMBL9521443 0.78 MRGPRX4 (0.48) CTSSCTSKMRGPRX4SSTR4TRPV4
SCHEMBL3496978 0.77 XDH (0.52) CTSSMRGPRX4SSTR4GAATRPV4

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
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-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
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO 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 CTSS 2736/4885CTSK 2732/4885MRGPRX4 78/4885

“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.