SCHEMBL4017891

SCHEMBL4017891

Cc1cc(F)ccc1C1CC(NC2CCC2)CCN1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.63
OPRL1 P41146 1/20 0.41
GRM5 P41594 1/20 0.39
CYP3A4 P08684 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL4022638 1.00 TACR1 (0.63) TACR1OPRL1GRM5CYP3A4SIGMAR1
SCHEMBL6611482 1.00 TACR1 (0.63) TACR1OPRL1GRM5CYP3A4SIGMAR1
SCHEMBL4015909 0.95 TACR1 (0.62) TACR1OPRL1CYP3A4SIGMAR1
SCHEMBL4017832 0.95 TACR1 (0.62) TACR1OPRL1CYP3A4SIGMAR1
SCHEMBL4015913 0.95 TACR1 (0.62) TACR1OPRL1CYP3A4SIGMAR1
SCHEMBL4014194 0.87 TACR1 (0.64) TACR1OPRL1CYP3A4SIGMAR1
SCHEMBL4026665 0.87 TACR1 (0.64) TACR1OPRL1CYP3A4SIGMAR1
SCHEMBL4021108 0.87 TACR1 (0.64) TACR1OPRL1CYP3A4SIGMAR1
SCHEMBL4016794 0.84 TACR1 (0.54) TACR1OPRL1CYP3A4SIGMAR1
SCHEMBL4023487 0.84 TACR1 (0.54) TACR1OPRL1CYP3A4SIGMAR1

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 5 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-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 (1 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 15/4885GRM5 331/4885

“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.