SCHEMBL13627778

SCHEMBL13627778

COC(=O)NCC(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 3/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PRMT3 O60678 1/20 0.33
TSHR P16473 2/20 0.32
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RECQL P46063 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL1328516 0.79 TDP1 (0.46) EPHX1ALDH1A1TSHRMEN1KMT2A
SCHEMBL20707122 0.79 EPHX1 (0.34) EPHX1CTSLCTSBCTSSCTSK
SCHEMBL17850575 0.78 PRMT3 (0.35) EPHX1PRMT3
SCHEMBL17850573 0.77 LMNA (0.43) EPHX1ALDH1A1PRMT3TSHRMEN1
SCHEMBL28276333 0.77 GAA (0.31) CTSLCTSBCTSSCTSKGAA
SCHEMBL2597884 0.75 CYP2D6 (0.39) ALDH1A1PRMT3TSHREGLN1GAA
SCHEMBL5945865 0.75 KDM4E (0.40) ALDH1A1PRMT3TSHRGAARXFP1
SCHEMBL4029023 0.73 ALDH1A1 (0.36) ALDH1A1PRMT3TSHRGAARXFP1
SCHEMBL17850611 0.73 EPHX1 (0.34) EPHX1ALDH1A1KMT2AHSD17B10
SCHEMBL752297 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-06 US disclosed
US-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-06 US disclosed
EP-2022782-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE PIPERIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2009-02-11 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-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS SNCA, SYNJ1, KCNH2 EPHX1 4620/4885ALDH1A1 2644/4885CTSL 2100/4885

“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.