SCHEMBL3322148

SCHEMBL3322148

NC1CC(CF)(CF)Oc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.47
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CETP P11597 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3322140 1.00 TRPV1 (0.47) TRPV1KDM1ARCOR1CYP2D6CYP3A4
SCHEMBL15075030 0.89 TRPV1 (0.48) TRPV1KDM1ARCOR1CYP2D6CYP3A4
SCHEMBL3322076 0.85 TRPV1 (0.49) TRPV1CYP2D6CYP3A4
SCHEMBL2319395 0.85 TRPV1 (0.49) TRPV1CYP2D6CYP3A4
SCHEMBL3323965 0.82 TRPV1 (0.46) TRPV1KDM1ARCOR1CYP2D6CYP3A4
SCHEMBL3323962 0.82 TRPV1 (0.46) TRPV1KDM1ARCOR1CYP2D6CYP3A4
SCHEMBL3327860 0.80 TRPV1 (0.46) TRPV1KDM1A
SCHEMBL3327851 0.80 TRPV1 (0.46) TRPV1KDM1A
SCHEMBL3327444 0.78 CFTR (0.45) TRPV1KDM1ACYP2D6CYP3A4SLC6A4
SCHEMBL15075118 0.77 TRPV1 (0.44) TRPV1CYP2D6CYP3A4

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 1/4885KDM1A 3338/4885RCOR1 462/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885KDM1A 3414/4885RCOR1 451/4885
US-20130345255-A1 TRPV1 ANTAGONISTS TRPV1, NPY1R, OPRL1 TRPV1 1/4885KDM1A 2853/4885RCOR1 320/4885

“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.