SCHEMBL3327189

SCHEMBL3327189

CCC1(CC)C[C@@H](N)c2cc(F)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.44
CYP3A4 P08684 1/20 0.42
KCNE1 P15382 3/20 0.41
KCNQ1 P51787 3/20 0.41
KDM1A O60341 3/20 0.35
KDM1B Q8NB78 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35

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
SCHEMBL3327193 1.00 TRPV1 (0.44) TRPV1CYP3A4KCNE1KCNQ1KDM1A
SCHEMBL3321626 0.89 TRPV1 (0.46) TRPV1CYP3A4KCNE1KCNQ1
SCHEMBL3321630 0.89 TRPV1 (0.46) TRPV1CYP3A4KCNE1KCNQ1
SCHEMBL3319717 0.88 TRPV1 (0.42) TRPV1CYP3A4KDM1ARCOR1
SCHEMBL3319723 0.88 TRPV1 (0.42) TRPV1CYP3A4KDM1ARCOR1
SCHEMBL3321457 0.87 TRPV1 (0.42) TRPV1CYP3A4KCNE1KCNQ1KDM1A
SCHEMBL3321453 0.87 TRPV1 (0.42) TRPV1CYP3A4KCNE1KCNQ1KDM1A
SCHEMBL15075093 0.85 TRPV1 (0.46) TRPV1CYP3A4KCNE1KCNQ1
SCHEMBL7469856 0.84 HTR2B (0.43) TRPV1CYP3A4
SCHEMBL3322619 0.80 TRPV1 (0.41) TRPV1CYP3A4KCNE1KCNQ1KDM1A

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 10 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
WO-2013096226-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO 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 1/4885CYP3A4 1282/4885KCNE1 258/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 TRPV1 1/4885CYP3A4 3920/4885KCNE1 468/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885CYP3A4 1264/4885KCNE1 266/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 TRPV1 4781/4885CYP3A4 276/4885KCNE1 3907/4885

“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.