SCHEMBL4483548

SCHEMBL4483548

CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccccc3)C2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.57
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL4483555 1.00 TACR1 (0.57) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4483547 1.00 TACR1 (0.57) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4485766 0.93 TACR1 (0.65) TACR1
SCHEMBL4485768 0.93 TACR1 (0.65) TACR1
SCHEMBL4480800 0.93 TACR1 (0.65) TACR1
SCHEMBL4483142 0.90 TACR1 (0.67) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4483149 0.90 TACR1 (0.67) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4483139 0.90 TACR1 (0.67) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4474037 0.90 TACR1 (0.58) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4474027 0.90 TACR1 (0.58) TACR1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20060167052-A1 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060167052-A1 Piperidine derivative, process for producing the same, and use OPRL1, OXTR, OPRM1 TACR1 6/4885CYP3A4 2319/4885CYP2D6 2024/4885

“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.