SCHEMBL3158455

SCHEMBL3158455

COC(=O)N[C@H]1CCN(C(=O)N(C)[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.82
CYP3A4 P08684 2/20 0.68
SIGMAR1 Q99720 2/20 0.68
PTAFR P25105 1/20 0.62

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
SCHEMBL3161065 0.94 TACR1 (0.79) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL3155183 0.94 TACR1 (0.79) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627661 0.94 TACR1 (0.79) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627663 0.94 TACR1 (0.79) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL4490385 0.93 TACR1 (0.78) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13451678 0.92 TACR1 (0.84) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13451405 0.91 TACR1 (0.86) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627701 0.91 TACR1 (0.86) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627957 0.91 TACR1 (0.75) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL3154625 0.91 TACR1 (0.80) TACR1CYP3A4SIGMAR1PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513814-B1 NOVEL PIPERIDINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2010-03-17 EP claimed
EP-1513814-B1 NOVEL PIPERIDINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2010-03-17 EP disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-20050239829-A1 Novel piperidine compound TANABE SEIYAKU CO. LTD. (JP) 2005-10-27 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 (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-20050239829-A1 Novel piperidine compound EP300, BRD1, CBR3 TACR1 379/4885CYP3A4 391/4885SIGMAR1 14/4885

“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.