SCHEMBL29397826

SCHEMBL29397826

CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCSC)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 6/20 0.64
▸ MC4R P32245 1/20 0.64
▸ MC5R P33032 1/20 0.64
▸ MC3R P41968 1/20 0.64
▸ MC1R Q01726 1/20 0.64
▸ C5AR1 P21730 1/20 0.63
▸ CTSL P07711 2/20 0.62
▸ CTSS P25774 2/20 0.62
▸ CTSK P43235 2/20 0.62
▸ IL23R Q5VWK5 1/20 0.62
▸ GLP1R P43220 5/20 0.61
▸ CTSH P09668 1/20 0.61
▸ GCGR P47871 3/20 0.60
▸ CXCR4 P61073 1/20 0.59
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 1/20 0.59

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
SCHEMBL31332244 1.00 CXCL8 (0.64) CXCL8MC4RMC5RMC3RMC1R
SCHEMBL29462886 0.95 MC4R (0.68) CXCL8MC4RMC5RMC3RMC1R
SCHEMBL29361885 0.95 GLP1R (0.66) CXCL8MC4RMC5RMC3RMC1R
SCHEMBL30876339 0.91 OPRD1 (0.58) MC4RMC5RMC3RMC1RC5AR1
SCHEMBL29874649 0.89 MC4R (0.69) MC4RMC5RMC3RMC1RC5AR1
SCHEMBL29389654 0.88 MC4R (0.67) CXCL8MC4RMC5RMC3RMC1R
SCHEMBL29581575 0.88 MC4R (0.60) CXCL8MC4RMC5RMC3RMC1R
Dynorphin A (1-17) SCHEMBL31331988 0.87 NPY1R (0.68) C5AR1IL23RGLP1RCXCR4NPY1R
Dynorphin A (1-17) SCHEMBL30248363 0.87 NPY1R (0.68) C5AR1IL23RGLP1RCXCR4NPY1R
SCHEMBL31186277 0.87 MC4R (0.61) CXCL8MC4RMC5RMC3RMC1R

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
CN-114126615-B Opioid receptor antagonist prodrugs 尼萨姆实验室公司 2024-12-31 — — CN disclosed
EP-3962510-B1 NOVEL SELECTIVE ACKR3 MODULATORS AND USES THEREOF LUXEMBOURG INST OF HEALTH LIH (LU) 2024-08-28 — — EP disclosed
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
US-20240059688-A1 CONOLIDINE ANALOGUES AS SELECTIVE ACKR3 MODULATORS FOR THE TREATMENT OF CANCER LUXEMBOURG INSTITUTE OF HEALTH (LIH) (LU) 2024-02-22 — — US disclosed
EP-4267579-A1 CONOLIDINE ANALOGUES AS SELECTIVE ACKR3 MODULATORS FOR THE TREATMENT OF CANCER AND CARDIOVASCULAR DISEASES Luxembourg Institute of Health (LIH) (LU) 2023-11-01 — — EP 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-20220236279-A1 Novel Selective ACKR3 Modulators and Uses Thereof LUXEMBOURG INSTITUTE OF HEALTH (LIH) (LU) 2022-07-28 — — US disclosed
WO-2022136486-A1 CONOLIDINE ANALOGUES AS SELECTIVE ACKR3 MODULATORS FOR THE TREATMENT OF CANCER AND CARDIOVASCULAR DISEASES LUXEMBOURG INSTITUTE OF HEALTH (LIH) (LU) 2022-06-30 — — WO 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
EP-3965765-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS Nirsum Laboratories, Inc. (US) 2022-03-16 — — EP disclosed
CN-114126615-A Opioid receptor antagonist prodrugs 尼萨姆实验室公司 2022-03-01 — — CN 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-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 CXCL8 363/4885MC4R 600/4885MC5R 432/4885
US-20240059688-A1 CONOLIDINE ANALOGUES AS SELECTIVE ACKR3 MODULATORS FOR THE TREATMENT OF CANCER ACKR3, CMKLR1, CXCR4 CXCL8 837/4885MC4R 293/4885MC5R 1201/4885
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 CXCL8 123/4885MC4R 423/4885MC5R 228/4885

“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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