SCHEMBL3322941

SCHEMBL3322941

CC1(C)CC(O)c2cccc(OC(F)(F)F)c2O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.39
TRPV1 Q8NER1 5/20 0.39
ALDH1A1 P00352 1/20 0.35
TLR3 O15455 1/20 0.34
FFAR1 O14842 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
RRM1 P23921 1/20 0.33
RRM2B Q7LG56 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL3322936 1.00 TRPM8 (0.39) TRPM8TRPV1ALDH1A1TLR3FFAR1
SCHEMBL3326659 0.84 ALDH1A1 (0.35) TRPV1ALDH1A1FFAR1CNR1CNR2
SCHEMBL3326664 0.84 ALDH1A1 (0.35) TRPV1ALDH1A1FFAR1CNR1CNR2
SCHEMBL3323275 0.83 TRPV1 (0.37) TRPM8TRPV1FFAR1
SCHEMBL3323280 0.83 TRPV1 (0.37) TRPM8TRPV1FFAR1
SCHEMBL3322931 0.82 TRPM8 (0.38) TRPM8TRPV1HTR2AHTR2CHTR2B
SCHEMBL3322927 0.82 TRPM8 (0.38) TRPM8TRPV1HTR2AHTR2CHTR2B
SCHEMBL17112284 0.77 TRPV1 (0.43) TRPM8TRPV1ALDH1A1TLR3CNR1
SCHEMBL1508318 0.76 TRPV1 (0.39) TRPM8TRPV1HTR2AHTR2CHTR2B
SCHEMBL3325669 0.73 TRPV1 (0.46) TRPM8TRPV1HTR2AHTR2CHTR2B

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 TRPM8 8/4885TRPV1 1/4885ALDH1A1 1287/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPM8 8/4885TRPV1 1/4885ALDH1A1 1284/4885

“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.