SCHEMBL4409569

SCHEMBL4409569

Cc1cc(F)ccc1C1C[C@@H](C(=O)NC[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1C1CCS(=O)(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.46
CYP3A4 P08684 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4407866 1.00 TACR1 (0.46) TACR1CYP3A4SIGMAR1
SCHEMBL4414388 0.90 TACR1 (0.48) TACR1CYP3A4SIGMAR1
SCHEMBL4402090 0.90 TACR1 (0.46) TACR1CYP3A4SIGMAR1
SCHEMBL4397488 0.90 TACR1 (0.46) TACR1CYP3A4SIGMAR1
SCHEMBL4410342 0.89 TACR1 (0.46) TACR1
SCHEMBL4417069 0.89 TACR1 (0.46) TACR1
SCHEMBL4398271 0.83 TACR1 (0.54) TACR1CYP3A4SIGMAR1
SCHEMBL4406298 0.80 TACR1 (0.46) TACR1SIGMAR1
SCHEMBL4408428 0.79 TACR1 (0.45) TACR1
SCHEMBL4405783 0.79 TACR1 (0.50) TACR1CYP3A4SIGMAR1

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 1 patent. 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

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 1012/4885SIGMAR1 129/4885

“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.