SCHEMBL3322142

SCHEMBL3322142

N[C@@H]1CCOc2c1cccc2C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
TRPV1 Q8NER1 7/20 0.41
HTR2C P28335 3/20 0.39
HTR2B P41595 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3322149 1.00 PNMT (0.46) PNMTTRPV1HTR2CHTR2BCHRNB2
SCHEMBL430297 0.84 TRPV1 (0.41) PNMTTRPV1
SCHEMBL3326526 0.84 TRPV1 (0.41) PNMTTRPV1
SCHEMBL13505648 0.81 TRPV1 (0.43) PNMTTRPV1HTR2CGAATDP1
SCHEMBL1266132 0.78 ADRA2A (0.50) HTR2CHTR2B
SCHEMBL1265342 0.78 ADRA2A (0.50) HTR2CHTR2B
SCHEMBL1265344 0.78 ADRA2A (0.50) HTR2CHTR2B
SCHEMBL3322452 0.77 TRPV1 (0.44) TRPV1HTR2CHTR2B
SCHEMBL9786837 0.77 PNMT (0.31) PNMT
SCHEMBL15160359 0.77 TRPV1 (0.40) PNMTTRPV1HTR2CHTR2BCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539245-A Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-05-27 CN disclosed
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-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-8796328-B2 TRPV1 antagonists ABBVIE INC. 2014-08-05 US disclosed
US-20130345255-A1 TRPV1 ANTAGONISTS ABBVIE INC. 2013-12-26 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-2013096223-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 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 (6 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 PNMT 1462/4885TRPV1 1/4885HTR2C 216/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 PNMT 1821/4885TRPV1 1/4885HTR2C 378/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 PNMT 1565/4885TRPV1 1/4885HTR2C 224/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 PNMT 1244/4885TRPV1 1/4885HTR2C 322/4885
US-20130345255-A1 TRPV1 ANTAGONISTS TRPV1, NPY1R, OPRL1 PNMT 1378/4885TRPV1 1/4885HTR2C 362/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 PNMT 1725/4885TRPV1 4781/4885HTR2C 3283/4885

“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.