SCHEMBL3322927

SCHEMBL3322927

O[C@H]1CC(CF)(CF)Oc2c(OC(F)(F)F)cccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.38
TRPV1 Q8NER1 9/20 0.38
P2RX7 Q99572 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SCN9A Q15858 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL3322931 1.00 TRPM8 (0.38) TRPM8TRPV1P2RX7HCRTR1HCRTR2
SCHEMBL3323275 0.89 TRPV1 (0.37) TRPM8TRPV1HCRTR1HCRTR2
SCHEMBL3323280 0.89 TRPV1 (0.37) TRPM8TRPV1HCRTR1HCRTR2
SCHEMBL3323451 0.85 TRPV1 (0.32) TRPV1P2RX7SCN9AHTR2AHTR2C
SCHEMBL3323444 0.85 TRPV1 (0.32) TRPV1P2RX7SCN9AHTR2AHTR2C
SCHEMBL3322941 0.82 TRPM8 (0.39) TRPM8TRPV1HTR2AHTR2CHTR2B
SCHEMBL3322936 0.82 TRPM8 (0.39) TRPM8TRPV1HTR2AHTR2CHTR2B
SCHEMBL3322165 0.78 TRPV1 (0.44) TRPM8TRPV1
SCHEMBL3324035 0.78 TRPV1 (0.44) TRPM8TRPV1
SCHEMBL3324617 0.77 TRPV1 (0.43) TRPM8TRPV1

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 4 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
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

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 8/4885TRPV1 1/4885P2RX7 53/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPM8 8/4885TRPV1 1/4885P2RX7 55/4885

“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.