SCHEMBL3321630

SCHEMBL3321630

CCCC1(CCC)CC(N)c2cc(F)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.46
KCNE1 P15382 3/20 0.43
KCNQ1 P51787 3/20 0.43
HTR2B P41595 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL3321626 1.00 TRPV1 (0.46) TRPV1KCNE1KCNQ1HTR2BCYP3A4
SCHEMBL3327193 0.89 TRPV1 (0.44) TRPV1KCNE1KCNQ1CYP3A4
SCHEMBL3327189 0.89 TRPV1 (0.44) TRPV1KCNE1KCNQ1CYP3A4
SCHEMBL3321457 0.84 TRPV1 (0.42) TRPV1KCNE1KCNQ1HTR2BCYP3A4
SCHEMBL3321453 0.84 TRPV1 (0.42) TRPV1KCNE1KCNQ1HTR2BCYP3A4
SCHEMBL15075093 0.82 TRPV1 (0.46) TRPV1KCNE1KCNQ1CYP3A4
SCHEMBL15086531 0.79 TRPV1 (0.42) TRPV1KCNE1KCNQ1CYP3A4
SCHEMBL3322619 0.78 TRPV1 (0.41) TRPV1KCNE1KCNQ1CYP3A4
SCHEMBL3322624 0.78 TRPV1 (0.41) TRPV1KCNE1KCNQ1CYP3A4
SCHEMBL6024931 0.78 TRPV1 (0.41) TRPV1KCNE1KCNQ1CYP3A4

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 7 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
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 1/4885KCNE1 258/4885KCNQ1 306/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885KCNE1 266/4885KCNQ1 321/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 TRPV1 4781/4885KCNE1 3907/4885KCNQ1 3831/4885

“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.