SCHEMBL4487177

SCHEMBL4487177

CC(=O)N1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.55
KMT2A Q03164 1/20 0.48
NOTUM Q6P988 1/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 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
SCHEMBL6406441 0.87 TACR1 (0.41) TACR1
SCHEMBL6414888 0.86 TACR1 (0.54) TACR1CYP3A4ALDH1A1
SCHEMBL6413749 0.86 TACR1 (0.53) TACR1
SCHEMBL6410854 0.85 TACR1 (0.55) TACR1
SCHEMBL4481859 0.81 TACR1 (0.48) TACR1ALDH1A1
SCHEMBL6410627 0.81 TACR1 (0.53) TACR1
SCHEMBL6407083 0.78 TACR1 (0.60) TACR1
SCHEMBL6409563 0.77 ALDH1A1 (0.50) TACR1KMT2AALDH1A1
SCHEMBL6409991 0.76 PKM (0.56) TACR1KMT2AALDH1A1
SCHEMBL6405395 0.75 CYP3A4 (0.47) TACR1CYP3A4CYP2C9

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 6 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
CN-1671662-A Piperidine derivatives, process for their preparation and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-09-21 CN disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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 (2 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 6/4885KMT2A 642/4885NOTUM 2633/4885
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 TACR1 3/4885KMT2A 2257/4885NOTUM 1953/4885

“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.