SCHEMBL4256001

SCHEMBL4256001

COC(=O)N1CC[C@H](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 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.79
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL13948998 0.93 TACR1 (0.78) TACR1CYP3A4CYP2D6
SCHEMBL13948996 0.93 TACR1 (0.78) TACR1CYP3A4CYP2D6
SCHEMBL20530591 0.93 TACR1 (0.78) TACR1CYP3A4CYP2D6
SCHEMBL13948997 0.93 TACR1 (0.78) TACR1CYP3A4CYP2D6
SCHEMBL19059074 0.90 TACR1 (0.88) TACR1CYP3A4CYP2D6
SCHEMBL5006512 0.89 TACR1 (1.00) TACR1CYP3A4CYP2D6
SCHEMBL5005243 0.89 TACR1 (1.00) TACR1CYP3A4CYP2D6
SCHEMBL19059097 0.86 TACR1 (0.76) TACR1CYP3A4CYP2D6
SCHEMBL5002247 0.85 TACR1 (0.75) TACR1CYP3A4CYP2D6
SCHEMBL5002253 0.85 TACR1 (0.75) TACR1CYP3A4CYP2D6

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-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 US disclosed
EP-1765780-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-03-28 EP disclosed
WO-2006004195-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-01-12 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-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR TACR1 6/4885CYP3A4 1012/4885CYP2D6 1957/4885

“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.