SCHEMBL3742625

SCHEMBL3742625

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)[C@H](C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.50
▸ HSD11B1 P28845 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ GPR119 Q8TDV5 1/20 0.48
▸ STS P08842 1/20 0.48
▸ CTSK P43235 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ DPP4 P27487 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ DPP7 Q9UHL4 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45

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
SCHEMBL19814180 1.00 CPB1 (0.50) CPB1HSD11B1JAK2JAK1GPR119
SCHEMBL6342264 1.00 CPB1 (0.50) CPB1HSD11B1JAK2JAK1GPR119
SCHEMBL13404519 1.00 CPB1 (0.50) CPB1HSD11B1JAK2JAK1GPR119
SCHEMBL13404520 0.93 CPB1 (0.49) CPB1HSD11B1JAK2JAK1GPR119
SCHEMBL6356119 0.93 HSD11B1 (0.49) CPB1HSD11B1JAK2JAK1GPR119
SCHEMBL3552331 0.92 CPB1 (0.59) CPB1HSD11B1JAK2JAK1GPR119
SCHEMBL12895664 0.92 CPB1 (0.59) CPB1HSD11B1JAK2JAK1GPR119
SCHEMBL12884056 0.92 CPB1 (0.59) CPB1HSD11B1JAK2JAK1GPR119
SCHEMBL12992940 0.92 CPB1 (0.59) CPB1HSD11B1JAK2JAK1GPR119
SCHEMBL29541951 0.92 CPB1 (0.59) CPB1HSD11B1JAK2JAK1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 — — CN disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 — — CN disclosed
US-7825139-B2 Compounds and methods for selective inhibition of dipeptidyl peptidase-IV Forest Laboratories Holdings Limited (BM) 2010-11-02 — — US disclosed
US-7825139-B2 Compounds and methods for selective inhibition of dipeptidyl peptidase-IV Forest Laboratories Holdings Limited (BM) 2010-11-02 — — US disclosed
US-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV Forest Laboratories Holding Limited (BM) 2006-12-07 — — US disclosed
US-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV Forest Laboratories Holding Limited (BM) 2006-12-07 — — US disclosed
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 — — US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 — — US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 — — US disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 — — 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 (3 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-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP3, DPP7 CPB1 76/4885HSD11B1 188/4885JAK2 1685/4885
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CPB1 919/4885HSD11B1 1213/4885JAK2 1616/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CPB1 919/4885HSD11B1 1213/4885JAK2 1616/4885

“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.

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