SCHEMBL21047249

SCHEMBL21047249

CCOC(=O)C1=C(N[C@@H](C)c2ccccc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
ALOX5 P09917 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.40
GPR119 Q8TDV5 1/20 0.40
GLS O94925 1/20 0.40
NPY2R P49146 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
P2RY12 Q9H244 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL1219800 1.00 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL1219803 1.00 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL654580 0.92 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL929119 0.92 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL929117 0.92 ADORA1 (0.43) ADORA1ALOX5ATMMEN1KMT2A
SCHEMBL3215767 0.91 ALOX5 (0.43) ALOX5ATMMEN1KMT2ATSHR
SCHEMBL15866027 0.91 ALOX5 (0.43) ALOX5ATMMEN1KMT2ATSHR
SCHEMBL3868648 0.90 NR1H2 (0.44) ATMTSHRGPR119GLSALOX15
SCHEMBL6355642 0.90 NR1H2 (0.44) ATMTSHRGPR119GLSALOX15
SCHEMBL27033215 0.88 ALOX5 (0.45) ALOX5MEN1KMT2ATSHRNPY2R

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 19 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-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 EP 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
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-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-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 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-3798217-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-03-31 EP disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 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
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 US disclosed
CN-110563717-A piperidine CXCR7receptor modulators 爱杜西亚药品有限公司 2019-12-13 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-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 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 (7 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-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS ADORA1 4822/4885ALOX5 4555/4885ATM 1686/4885
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 ADORA1 215/4885ALOX5 2099/4885ATM 4404/4885
US-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 ADORA1 49/4885ALOX5 3304/4885ATM 4133/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 ADORA1 49/4885ALOX5 3304/4885ATM 4133/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 ADORA1 39/4885ALOX5 3455/4885ATM 4085/4885
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 ADORA1 207/4885ALOX5 2093/4885ATM 4416/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 ADORA1 39/4885ALOX5 3455/4885ATM 4085/4885

“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.