SCHEMBL3323840

SCHEMBL3323840

O[C@H]1CC(CF)(CF)Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.42
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
HTT P42858 1/20 0.33
OPRD1 P41143 1/20 0.33
CFTR P13569 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
SCD O00767 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL3323847 1.00 TRPV1 (0.42) TRPV1MAOAMAOBKCNE1KCNQ1
SCHEMBL3323273 0.80 TRPV1 (0.39) TRPV1MAOAMAOBOPRD1
SCHEMBL3323282 0.80 TRPV1 (0.39) TRPV1MAOAMAOBOPRD1
SCHEMBL2364748 0.80 CFTR (0.47) TRPV1KCNE1KCNQ1CFTRSCD
SCHEMBL3321541 0.80 CFTR (0.47) TRPV1KCNE1KCNQ1CFTRSCD
SCHEMBL3320921 0.80 TRPV1 (0.44) TRPV1KCNE1KCNQ1CFTRCYP3A4
SCHEMBL3320924 0.80 TRPV1 (0.44) TRPV1KCNE1KCNQ1CFTRCYP3A4
SCHEMBL3327305 0.78 MAP3K14 (0.48) TRPV1CYP3A4CYP2D6
SCHEMBL3322858 0.78 CFTR (0.35) TRPV1CFTRCYP3A4CYP2D6
SCHEMBL3322864 0.78 CFTR (0.35) TRPV1CFTRCYP3A4CYP2D6

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 1/4885MAOA 1700/4885MAOB 1327/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885MAOA 1838/4885MAOB 1382/4885

“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.