SCHEMBL13627841

SCHEMBL13627841

COC(=O)N1CCC(C(=O)NCCCSC)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.44
GAA P10253 3/20 0.44
KDM4C Q9H3R0 1/20 0.44
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 2/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13627850 0.92 HSD17B10 (0.45) CYP3A4TSHRGAAKDM4CHSD17B10
SCHEMBL13627848 0.84 CYP3A4 (0.50) CYP3A4TSHRGAAKDM4CHSD17B10
SCHEMBL13637441 0.84 CYP3A4 (0.50) CYP3A4TSHRGAAKDM4CHSD17B10
SCHEMBL13637538 0.83 CYP3A4 (0.49) CYP3A4TSHRGAAKDM4CHSD17B10
SCHEMBL13627855 0.83 CYP3A4 (0.67) CYP3A4TSHRGAAKDM4CHSD17B10
SCHEMBL13627843 0.81 LMNA (0.51) CYP3A4TSHRGAAKDM4CHSD17B10
SCHEMBL29306655 0.81 HSD17B10 (0.43) CYP3A4TSHRGAAHSD17B10USP2
SCHEMBL13451443 0.80 CYP3A4 (0.52) CYP3A4TSHRGAAKDM4CKDM4E
SCHEMBL13451776 0.76 HSD17B10 (0.44) CYP3A4TSHRGAAKDM4CHSD17B10
SCHEMBL29306603 0.75 NAAA (0.44) CYP3A4GAAKDM4EALDH1A1HPGD

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 2 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-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-06 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-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS SNCA, SYNJ1, KCNH2 CYP3A4 3249/4885TSHR 2873/4885GAA 778/4885

“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.