SCHEMBL3326664

SCHEMBL3326664

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
FFAR1 O14842 1/20 0.31
BACE1 P56817 2/20 0.31
HCRTR1 O43613 5/20 0.31
HCRTR2 O43614 5/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
SCN9A Q15858 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3326659 1.00 ALDH1A1 (0.35) ALDH1A1HTR2AHTR2CHTR2BCNR1
SCHEMBL3322936 0.84 TRPM8 (0.39) ALDH1A1HTR2AHTR2CHTR2BCNR1
SCHEMBL3322941 0.84 TRPM8 (0.39) ALDH1A1HTR2AHTR2CHTR2BCNR1
SCHEMBL3322635 0.83 KDM1A (0.34) ALDH1A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL3322640 0.83 KDM1A (0.34) ALDH1A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL3596638 0.83 ALDH1A1 (0.49) ALDH1A1HTR2AHTR2CHTR2BLMNA
SCHEMBL3323451 0.82 TRPV1 (0.32) HTR2AHTR2CHTR2BTRPV1SCN9A
SCHEMBL3323444 0.82 TRPV1 (0.32) HTR2AHTR2CHTR2BTRPV1SCN9A
SCHEMBL3322442 0.79 TRPV1 (0.43) HTR2CHTR2BCNR1CNR2CYP3A4
SCHEMBL3322451 0.79 TRPV1 (0.43) HTR2CHTR2BCNR1CNR2CYP3A4

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 ALDH1A1 1287/4885HTR2A 195/4885HTR2C 216/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 ALDH1A1 1284/4885HTR2A 201/4885HTR2C 224/4885

“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.