SCHEMBL617679

SCHEMBL617679

Cc1nc2ncccc2cc1C(=O)NC(c1cccc(C(F)(F)F)c1)C1CC=CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.38
SUCNR1 Q9BXA5 1/20 0.36
PDE2A O00408 2/20 0.36
KLRK1 P26718 3/20 0.36
MICA Q29983 3/20 0.36
RAET1L Q5VY80 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
NSD2 O96028 1/20 0.35
SETD2 Q9BYW2 1/20 0.35
BRAF P15056 1/20 0.34
MDM2 Q00987 1/20 0.34
BRD4 O60885 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL619912 0.81 SUCNR1 (0.48) TRPM8SUCNR1PDE2AKLRK1MICA
SCHEMBL619595 0.81 SUCNR1 (0.48) TRPM8SUCNR1PDE2AKLRK1MICA
SCHEMBL619596 0.81 SUCNR1 (0.48) TRPM8SUCNR1PDE2AKLRK1MICA
SCHEMBL618653 0.78 KCNK3 (0.49) TRPM8SUCNR1PDE2AKLRK1MICA
SCHEMBL618474 0.72 P2RX7 (0.33)
SCHEMBL618476 0.72 P2RX7 (0.33)
SCHEMBL247884 0.70 LMNA (0.52) LMNAMEN1KMT2A
SCHEMBL619975 0.69 TRPV1 (0.48) LMNAALDH1A1L3MBTL1TRPV1MEN1
SCHEMBL13186488 0.69 SUCNR1 (0.44) TRPM8SUCNR1KLRK1MICARAET1L
SCHEMBL616636 0.66 TACR1 (0.53)

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 6 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-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 TRPM8 1550/4885SUCNR1 579/4885PDE2A 31/4885

“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.