SCHEMBL2315765

SCHEMBL2315765

O=C1CC(CF)(CF)Oc2c(F)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.41
CYP19A1 P11511 2/20 0.35
TRPV1 Q8NER1 8/20 0.34
MAOB P27338 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2D6 P10635 1/20 0.31

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
SCHEMBL2318975 0.86 TRPM8 (0.41) TRPM8CYP19A1TRPV1MAOBKDM4E
SCHEMBL2320464 0.84 TRPM8 (0.39) TRPM8CYP19A1TRPV1MAOBKDM4E
SCHEMBL2321901 0.83 TRPM8 (0.42) TRPM8TRPV1MAOBKDM4EMEN1
SCHEMBL2316229 0.83 TRPM8 (0.41) TRPM8CYP19A1MAOBKDM4EMEN1
SCHEMBL2321465 0.78 MAOB (0.45) TRPM8CYP19A1MAOBKDM4EALDH1A1
SCHEMBL2320625 0.77 TRPM8 (0.37) TRPM8KDM4EMEN1ALDH1A1TP53
SCHEMBL2320079 0.76 SIGMAR1 (0.46) CYP19A1MAOBKDM4EALDH1A1TSHR
SCHEMBL1115277 0.73 TRPM8 (0.53) TRPM8CYP19A1KDM4EHTT
SCHEMBL12482015 0.72 TRPM8 (0.52) TRPM8CYP19A1KDM4E
Hydrochloric Acid SCHEMBL3715122 0.71 TRPM8 (0.51) TRPM8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
EP-2352726-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
WO-2010045401-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
WO-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 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 (2 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPM8 8/4885CYP19A1 3547/4885TRPV1 1/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPM8 8/4885CYP19A1 3669/4885TRPV1 1/4885

“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.