SCHEMBL4015296

SCHEMBL4015296

Cc1cc(F)ccc1C1CC(NCCF)CCN1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.54
OPRL1 P41146 3/20 0.48

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
SCHEMBL4017278 1.00 TACR1 (0.54) TACR1OPRL1
SCHEMBL4015297 1.00 TACR1 (0.54) TACR1OPRL1
SCHEMBL4016798 0.89 TACR1 (0.54) TACR1OPRL1
SCHEMBL4016794 0.89 TACR1 (0.54) TACR1OPRL1
SCHEMBL4023487 0.89 TACR1 (0.54) TACR1OPRL1
SCHEMBL4017723 0.89 TACR1 (0.66) TACR1OPRL1
SCHEMBL4020734 0.89 TACR1 (0.66) TACR1OPRL1
SCHEMBL4017720 0.89 TACR1 (0.66) TACR1OPRL1
SCHEMBL4026339 0.86 TACR1 (0.56) TACR1OPRL1
SCHEMBL4016276 0.86 TACR1 (0.51) TACR1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482365-B2 4-(2,2-Dimethyl-propylamino)-2-(4-fluoro-2-methyl-phenyl)-piperidine-1-carboxylic acid, [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methylamide; specific antagonists of tachykinins receptor: substance P and neurokinins (NK1); antidepressant, anxiolytic agent; serotonin receptor inhibitor GLAXO GROUP LIMITED (GB) 2009-01-27 US claimed
US-20050171153-A1 Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases GLAXO GROUP LIMITED (GB) 2005-08-04 US claimed
EP-1472222-A1 PIPERIDYLCARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TACHYKINIM-MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2004-11-03 EP claimed
WO-2003066589-A1 PIPERIDYLCARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TACHYKINIM-MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-08-14 WO claimed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
EP-2729147-B1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION IRBM - SCIENCE PARK S P A (IT) 2017-09-06 EP disclosed
EP-2729147-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION Ferrari, Giulio (IT) 2014-05-14 EP disclosed
US-20140128395-A1 Novel Method IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 US disclosed
WO-2013004766-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION FERRARI GIULIO (IT) 2013-01-10 WO disclosed
US-7482365-B2 4-(2,2-Dimethyl-propylamino)-2-(4-fluoro-2-methyl-phenyl)-piperidine-1-carboxylic acid, [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methylamide; specific antagonists of tachykinins receptor: substance P and neurokinins (NK1); antidepressant, anxiolytic agent; serotonin receptor inhibitor GLAXO GROUP LIMITED (GB) 2009-01-27 US disclosed
US-20050171153-A1 Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases GLAXO GROUP LIMITED (GB) 2005-08-04 US disclosed
EP-1472222-A1 PIPERIDYLCARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TACHYKINIM-MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2004-11-03 EP disclosed
WO-2003066589-A1 PIPERIDYLCARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TACHYKINIM-MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-08-14 WO 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-20050171153-A1 Piperidylcarboxamide derivatives and their use in the treatment of tachykinin-mediated diseases NPSR1, NPY1R, NPY2R TACR1 8/4885OPRL1 15/4885
US-20140128395-A1 Novel Method BAK1, VIPR1, BDKRB1 TACR1 38/4885OPRL1 164/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 TACR1 119/4885OPRL1 252/4885

“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.