SCHEMBL3323451

SCHEMBL3323451

NC1CC(CF)(CF)Oc2c(OC(F)(F)F)cccc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.32
SCN9A Q15858 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL3323444 1.00 TRPV1 (0.32) TRPV1SCN9AHTR2AHTR2CHTR2B
SCHEMBL3322640 0.89 KDM1A (0.34) TRPV1SCN9AHTR2AHTR2CHTR2B
SCHEMBL3322635 0.89 KDM1A (0.34) TRPV1SCN9AHTR2AHTR2CHTR2B
SCHEMBL3322927 0.85 TRPM8 (0.38) TRPV1SCN9AHTR2AHTR2CHTR2B
SCHEMBL3322931 0.85 TRPM8 (0.38) TRPV1SCN9AHTR2AHTR2CHTR2B
SCHEMBL3326659 0.82 ALDH1A1 (0.35) TRPV1SCN9AHTR2AHTR2CHTR2B
SCHEMBL3326664 0.82 ALDH1A1 (0.35) TRPV1SCN9AHTR2AHTR2CHTR2B
SCHEMBL2317663 0.78 TRPV1 (0.41) TRPV1HTR2CHTR2B
SCHEMBL2317667 0.78 TRPV1 (0.41) TRPV1HTR2CHTR2B
SCHEMBL3322886 0.77 TRPV1 (0.41) TRPV1HTR2AHTR2CHTR2B

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 TRPV1 1/4885SCN9A 390/4885HTR2A 195/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885SCN9A 391/4885HTR2A 201/4885

“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.