SCHEMBL3319767

SCHEMBL3319767

CC1(C)C[C@@H](N)c2cc(F)cc(F)c2O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.39
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM1A O60341 2/20 0.31
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
KDM1B Q8NB78 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HTR6 P50406 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
SCHEMBL3319774 1.00 TRPV1 (0.39) TRPV1CNR1CNR2KDM1APGR
Hydrochloric Acid SCHEMBL6559911 0.98 TRPV1 (0.38) TRPV1CNR1CNR2KDM1APGR
SCHEMBL3324588 0.80 TRPV1 (0.35) TRPV1KDM1AHTR2AHTR2CHTR2B
SCHEMBL3324584 0.80 TRPV1 (0.35) TRPV1KDM1AHTR2AHTR2CHTR2B
SCHEMBL616994 0.78 KDM1A (0.31) TRPV1KDM1A
SCHEMBL3323869 0.78 TRPV1 (0.41) TRPV1HTR2AHTR2CHTR2B
SCHEMBL3323862 0.78 TRPV1 (0.41) TRPV1HTR2AHTR2CHTR2B
SCHEMBL3323057 0.77 TRPV1 (0.40) TRPV1CNR1CNR2KDM1AKDM1B
SCHEMBL3323061 0.77 TRPV1 (0.40) TRPV1CNR1CNR2KDM1AKDM1B
SCHEMBL4350426 0.77 KDM1A (0.31) KDM1A

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 5 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
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-06-04 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 (3 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 1/4885CNR1 22/4885CNR2 18/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885CNR1 22/4885CNR2 18/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 TRPV1 4781/4885CNR1 2251/4885CNR2 2999/4885

“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.