SCHEMBL3323869

SCHEMBL3323869

NC1CC(CF)(CF)Oc2c(F)cc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.41
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
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
SCHEMBL3323862 1.00 TRPV1 (0.41) TRPV1HTR2AHTR2CHTR2BCYP2D6
SCHEMBL3324584 0.87 TRPV1 (0.35) TRPV1HTR2AHTR2CHTR2B
SCHEMBL3324588 0.87 TRPV1 (0.35) TRPV1HTR2AHTR2CHTR2B
SCHEMBL3323873 0.82 TRPV1 (0.44) TRPV1CYP2D6
SCHEMBL3323877 0.82 TRPV1 (0.44) TRPV1CYP2D6
SCHEMBL2317663 0.79 TRPV1 (0.41) TRPV1HTR2CHTR2BCYP2D6
SCHEMBL2317667 0.79 TRPV1 (0.41) TRPV1HTR2CHTR2BCYP2D6
SCHEMBL3319767 0.78 TRPV1 (0.39) TRPV1HTR2AHTR2CHTR2B
SCHEMBL3319774 0.78 TRPV1 (0.39) TRPV1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6559911 0.77 TRPV1 (0.38) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796328-B2 TRPV1 antagonists ABBVIE INC. 2014-08-05 US disclosed
US-20130345255-A1 TRPV1 ANTAGONISTS ABBVIE INC. 2013-12-26 US disclosed
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 (3 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 1/4885HTR2A 195/4885HTR2C 216/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885HTR2A 201/4885HTR2C 224/4885
US-20130345255-A1 TRPV1 ANTAGONISTS TRPV1, NPY1R, OPRL1 TRPV1 1/4885HTR2A 217/4885HTR2C 362/4885

“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.