SCHEMBL3323962

SCHEMBL3323962

CC1(C)C[C@@H](N)c2ccc(OC(F)(F)F)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.46
BACE1 P56817 2/20 0.38
CTSD P07339 1/20 0.38
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
SLC6A4 P31645 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
P2RY1 P47900 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL3323965 1.00 TRPV1 (0.46) TRPV1CYP2D6CYP3A4BACE1CTSD
SCHEMBL15075030 0.83 TRPV1 (0.48) TRPV1CYP2D6CYP3A4KDM1ARCOR1
SCHEMBL3578838 0.83 MAPT (0.47) KDM1ASLC6A4KDM4EMEN1MAPT
SCHEMBL3322148 0.82 TRPV1 (0.47) TRPV1CYP2D6CYP3A4KDM1ARCOR1
SCHEMBL3322140 0.82 TRPV1 (0.47) TRPV1CYP2D6CYP3A4KDM1ARCOR1
SCHEMBL3321427 0.79 TRPV1 (0.44) TRPV1KDM1ACNR1CNR2
SCHEMBL3321432 0.79 TRPV1 (0.44) TRPV1KDM1ACNR1CNR2
Hydrochloric Acid SCHEMBL15021496 0.78 TRPV1 (0.43) TRPV1KDM1ARCOR1
Hydrochloric Acid SCHEMBL15021497 0.78 TRPV1 (0.43) TRPV1KDM1ARCOR1
SCHEMBL20554133 0.77 CNR1 (0.42) TRPV1SLC6A4KDM4EMEN1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
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-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 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 (4 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 1/4885CYP2D6 878/4885CYP3A4 1282/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 TRPV1 1/4885CYP2D6 2894/4885CYP3A4 3920/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885CYP2D6 875/4885CYP3A4 1264/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 TRPV1 4781/4885CYP2D6 358/4885CYP3A4 276/4885

“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.