SCHEMBL3552331

SCHEMBL3552331

COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.59
HSD11B1 P28845 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
STS P08842 1/20 0.46
PDE4B Q07343 1/20 0.46
CTSK P43235 1/20 0.45
YAP1 P46937 1/20 0.45
TACR1 P25103 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
USP30 Q70CQ3 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL12895566 1.00 CPB1 (0.59) CPB1HSD11B1HTTNPC1RAB9A
SCHEMBL12992844 1.00 CPB1 (0.59) CPB1HSD11B1HTTNPC1RAB9A
SCHEMBL12895664 1.00 CPB1 (0.59) CPB1HSD11B1HTTNPC1RAB9A
SCHEMBL12884056 1.00 CPB1 (0.59) CPB1HSD11B1HTTNPC1RAB9A
SCHEMBL12992940 1.00 CPB1 (0.59) CPB1HSD11B1HTTNPC1RAB9A
SCHEMBL29541951 1.00 CPB1 (0.59) CPB1HSD11B1HTTNPC1RAB9A
SCHEMBL28833812 0.92 CPB1 (0.49) CPB1HSD11B1HTTNPC1RAB9A
SCHEMBL19814818 0.92 CPB1 (0.49) CPB1HSD11B1HTTNPC1RAB9A
SCHEMBL19814438 0.92 CPB1 (0.49) CPB1HSD11B1HTTNPC1RAB9A
SCHEMBL6354112 0.92 CPB1 (0.49) CPB1HSD11B1HTTNPC1RAB9A

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
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
US-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES BOEHRINGER MARKUS 2010-04-08 US disclosed
US-7683079-B2 4-aminopiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-23 US disclosed
US-20060135561-A1 4-Aminopiperidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-06-22 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 (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-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES DPP4, GPR119, IAPP CPB1 760/4885HSD11B1 1121/4885HTT 3914/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP CPB1 760/4885HSD11B1 1121/4885HTT 3914/4885

“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.