SCHEMBL13448331

SCHEMBL13448331

Cc1nc(CO)c(-c2cccc(F)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.44
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALOX5 P09917 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
DCK P27707 1/20 0.40
GCGR P47871 1/20 0.40
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
ATM Q13315 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
SCHEMBL2025159 0.85 HCRTR1 (0.41) TRPM8HCRTR1HCRTR2ALOX5ADORA3
SCHEMBL2022799 0.85 ALOX5 (0.42) TRPM8HCRTR1HCRTR2ALOX5ADORA3
SCHEMBL28790296 0.83 KDM4E (0.52) TRPM8ADORA3
SCHEMBL9948995 0.81 SMN1; SMN2 (0.45) TRPM8HCRTR1HCRTR2GCGRATM
SCHEMBL327274 0.80 CDK4 (0.51) TRPM8ALOX5ADORA3MGAMGAA
SCHEMBL28781396 0.77 HCRTR1 (0.48) TRPM8HCRTR1HCRTR2ADORA3GAA
SCHEMBL13448333 0.75 TRPM8 (0.52) TRPM8HCRTR1HCRTR2ADORA3
SCHEMBL269961 0.75 PIN1 (0.57) TRPM8HCRTR1HCRTR2ALOX5
SCHEMBL269910 0.75 KDM4E (0.51) TRPM8HCRTR1HCRTR2GAA
SCHEMBL28781395 0.73 ADORA3 (0.43) TRPM8ADORA3MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516439-B1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 US disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 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-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES REN, PKD1, NR3C2 TRPM8 1523/4885HCRTR1 3548/4885HCRTR2 3205/4885

“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.