SCHEMBL619912

SCHEMBL619912

Cc1nc2ncccc2cc1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 3/20 0.48
TRPM8 Q7Z2W7 1/20 0.44
DDR2 Q16832 2/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLRK1 P26718 1/20 0.42
MICA Q29983 1/20 0.42
RAET1L Q5VY80 1/20 0.42
PDE2A O00408 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
PTGER4 P35408 2/20 0.41
PTGDR Q13258 1/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL619595 1.00 SUCNR1 (0.48) SUCNR1TRPM8DDR2ALDH1A1L3MBTL1
SCHEMBL619596 1.00 SUCNR1 (0.48) SUCNR1TRPM8DDR2ALDH1A1L3MBTL1
SCHEMBL618653 0.87 KCNK3 (0.49) SUCNR1TRPM8DDR2ALDH1A1L3MBTL1
SCHEMBL616898 0.82 PDE2A (0.49) SUCNR1ALDH1A1PDE2APOLBLMNA
SCHEMBL616899 0.82 PDE2A (0.49) SUCNR1ALDH1A1PDE2APOLBLMNA
SCHEMBL617679 0.81 TRPM8 (0.38) SUCNR1TRPM8ALDH1A1L3MBTL1KLRK1
SCHEMBL619018 0.80 PDE2A (0.50) ALDH1A1L3MBTL1PDE2APOLBLMNA
SCHEMBL251862 0.80 PDE2A (0.50) ALDH1A1L3MBTL1PDE2APOLBLMNA
SCHEMBL251861 0.80 PDE2A (0.50) ALDH1A1L3MBTL1PDE2APOLBLMNA
SCHEMBL616602 0.79 PDE2A (0.43) SUCNR1PDE2APOLB

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 10 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
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

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 SUCNR1 579/4885TRPM8 1550/4885DDR2 2526/4885

“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.