SCHEMBL3322640

SCHEMBL3322640

CCC1(CC)CC(N)c2cccc(OC(F)(F)F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
TRPV1 Q8NER1 7/20 0.33
FFAR1 O14842 1/20 0.32
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SCN9A Q15858 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3322635 1.00 KDM1A (0.34) KDM1ARCOR1TRPV1FFAR1HCRTR1
SCHEMBL3323444 0.89 TRPV1 (0.32) TRPV1SCN9AHTR2AHTR2CHTR2B
SCHEMBL3323451 0.89 TRPV1 (0.32) TRPV1SCN9AHTR2AHTR2CHTR2B
SCHEMBL3323280 0.85 TRPV1 (0.37) KDM1ARCOR1TRPV1FFAR1HCRTR1
SCHEMBL3323275 0.85 TRPV1 (0.37) KDM1ARCOR1TRPV1FFAR1HCRTR1
SCHEMBL3326664 0.83 ALDH1A1 (0.35) TRPV1FFAR1HCRTR1HCRTR2ALDH1A1
SCHEMBL3326659 0.83 ALDH1A1 (0.35) TRPV1FFAR1HCRTR1HCRTR2ALDH1A1
SCHEMBL3325405 0.81 PNMT (0.38) KDM1ARCOR1TRPV1FFAR1ALDH1A1
SCHEMBL3325412 0.81 PNMT (0.38) KDM1ARCOR1TRPV1FFAR1ALDH1A1
SCHEMBL3323535 0.79 TRPV1 (0.43) KDM1ARCOR1TRPV1HTR2CHTR2B

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 KDM1A 3338/4885RCOR1 462/4885TRPV1 1/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 KDM1A 3414/4885RCOR1 451/4885TRPV1 1/4885

“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.