SCHEMBL10169576

SCHEMBL10169576

CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
STS P08842 1/20 0.44
TACR1 P25103 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
USP30 Q70CQ3 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL1218708 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD
SCHEMBL28833888 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD
SCHEMBL19814665 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD
SCHEMBL3333844 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD
SCHEMBL1218706 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD
SCHEMBL30661483 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD
SCHEMBL19814663 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD
SCHEMBL1219498 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD
SCHEMBL21197779 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD
SCHEMBL28331062 1.00 GPR119 (0.48) GPR119ALDH1A1KDM4EPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743422-B1 CRYSTALLINE FORMS OF THE CXCR7 RECEPTOR ANTAGONIST (3S,4S)-1-CYCLOPROPYLMETHYL-4-{[5-(2,4-DIFLUORO-PHENYL)-ISOXAZOLE-3-CARBONYL]-AMINO}-PIPERIDINE-3-CARBOXYLIC ACID (1-PYRIMIDIN-2-YL-CYCLOPROPYL)-AMIDE IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-13 EP disclosed
CN-111683945-B Crystalline forms of CXCR7 receptor antagonists 爱杜西亚药品有限公司 2023-11-10 CN disclosed
US-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-03-30 US disclosed
EP-4065231-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-10-05 EP disclosed
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed
US-11339148-B2 Crystalline forms of the CXCR7 receptor antagonist (3S,4S)-1-Cyclopropylmethyl-4-{[5-(2,4-difluoro-phenyl)-isoxazole-3-carbonyl]-amino}-piperidine-3-carboxylic acid (1-pyrimidin-2-yl-cyclopropyl)-amide IDORSIA PHARMACEUTICALS LTD. (CH) 2022-05-24 US disclosed
US-20210115033-A1 CRYSTALLINE FORMS OF THE CXCR7 RECEPTOR ANTAGONIST (3S,4S)-1-CYCLOPROPYLMETHYL-4-{[5-(2,4-DIFLUORO-PHENYL)-ISOXAZOLE-3-CARBONYL]-AMINO}-PIPERIDINE-3-CARBOXYLIC ACID (1-PYRIMIDIN-2-YL-CYCLOPROPYL)-AMIDE IDORSIA PHARMACEUTICALS LTD. (CH) 2021-04-22 US disclosed
EP-3743422-A1 CRYSTALLINE FORMS OF THE CXCR7 RECEPTOR ANTAGONIST (3S,4S)-1-CYCLOPROPYLMETHYL-4-{[5-(2,4-DIFLUORO-PHENYL)-ISOXAZOLE-3-CARBONYL]-AMINO}-PIPERIDINE-3-CARBOXYLIC ACID (1-PYRIMIDIN-2-YL-CYCLOPROPYL)-AMIDE Idorsia Pharmaceuticals Ltd (CH) 2020-12-02 EP disclosed
CN-111683945-A Crystalline form of CXCR7 receptor antagonist (3S,4S) -1-cyclopropylmethyl-4- { [5- (2, 4-difluoro-phenyl) -isoxazole-3-carbonyl ] -amino } -piperidine-3-carboxylic acid (1-pyrimidin-2-yl-cyclopropyl) -amide 爱杜西亚药品有限公司 2020-09-18 CN disclosed
WO-2019145460-A1 CRYSTALLINE FORMS OF THE CXCR7 RECEPTOR ANTAGONIST (3S,4S)-1-CYCLOPROPYLMETHYL-4-{[5-(2,4-DIFLUORO-PHENYL)-ISOXAZOLE-3-CARBONYL]-AMINO}-PIPERIDINE-3-CARBOXYLIC ACID (1-PYRIMIDIN-2-YL-CYCLOPROPYL)-AMIDE IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-01 WO disclosed
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 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 (5 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 GPR119 2871/4885ALDH1A1 3234/4885KDM4E 4744/4885
US-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS GPR119 4023/4885ALDH1A1 3445/4885KDM4E 2410/4885
US-20210115033-A1 CRYSTALLINE FORMS OF THE CXCR7 RECEPTOR ANTAGONIST (3S,4S)-1-CYCLOPROPYLMETHYL-4-{[5-(2,4-DIFLUORO-PHENYL)-ISOXAZOLE-3-CARBONYL]-AMINO}-PIPERIDINE-3-CARBOXYLIC ACID (1-PYRIMIDIN-2-YL-CYCLOPROPYL)-AMIDE CXCR1, CXCR5, CXCR4 GPR119 67/4885ALDH1A1 1578/4885KDM4E 3207/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ GPR119 2911/4885ALDH1A1 3160/4885KDM4E 4717/4885
US-11339148-B2 Crystalline forms of the CXCR7 receptor antagonist (3S,4S)-1-Cyclopropylmethyl-4-{[5-(2,4-difluoro-phenyl)-isoxazole-3-carbonyl]-amino}-piperidine-3-carboxylic acid (1-pyrimidin-2-yl-cyclopropyl)-amide CXCR1, CXCR5, CXCR4 GPR119 66/4885ALDH1A1 1548/4885KDM4E 3067/4885

“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.