SCHEMBL3324792

SCHEMBL3324792

CCC1(CC)C[C@H](O)c2cccc(C(F)(F)F)c2O1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
TRPV1 Q8NER1 12/20 0.35
TRPM8 Q7Z2W7 3/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3324797 1.00 FFAR1 (0.36) FFAR1TRPV1TRPM8HTR2CHTR2B
SCHEMBL3325405 0.84 PNMT (0.38) FFAR1TRPV1HTR2CHTR2BKDM4E
SCHEMBL3325412 0.84 PNMT (0.38) FFAR1TRPV1HTR2CHTR2BKDM4E
SCHEMBL3323275 0.81 TRPV1 (0.37) FFAR1TRPV1TRPM8
SCHEMBL3323280 0.81 TRPV1 (0.37) FFAR1TRPV1TRPM8
SCHEMBL1508366 0.70 FFAR1 (0.41) FFAR1TRPV1HTR2CHTR2BTDP1
SCHEMBL1508231 0.70 FFAR1 (0.41) FFAR1TRPV1HTR2CHTR2BTDP1
SCHEMBL3322165 0.69 TRPV1 (0.44) TRPV1TRPM8
SCHEMBL3324035 0.69 TRPV1 (0.44) TRPV1TRPM8
SCHEMBL2320590 0.69 CNR1 (0.40) TRPM8TDP1KDM4EALDH1A1HPGD

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-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
CN-102245587-A Trpv1 antagonists ABBOTT LAB 2011-11-16 CN disclosed
CN-102186836-A Trpv1 antagonists ABBOTT LAB 2011-09-14 CN 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 FFAR1 125/4885TRPV1 1/4885TRPM8 8/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 FFAR1 120/4885TRPV1 1/4885TRPM8 8/4885

“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.