SCHEMBL2795186

SCHEMBL2795186

COC(=O)c1cc(Cl)c(OC)cc1OCC1CN(C(=O)OC(C)(C)C)CCCO1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 9/20 0.51
▸ EPHB4 P54760 2/20 0.51
▸ ERBB2 P04626 1/20 0.51
▸ KDR P35968 5/20 0.44
▸ DRD4 P21917 3/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ RET P07949 2/20 0.38
▸ BUB1 O43683 1/20 0.38
▸ NR1H4 Q96RI1 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
SCHEMBL2797348 0.78 DRD4 (0.60) DRD4
SCHEMBL15058458 0.77 EPHA2 (0.52) EPHA2EPHB4ERBB2DRD4SCN9A
SCHEMBL8006434 0.76 HTR4 (0.52) DRD4
SCHEMBL2792532 0.76 EPHA2 (0.49) EPHA2EPHB4KDRNPC1CASP3
SCHEMBL304725 0.74 KDM4E (0.51) EPHA2EPHB4ERBB2DRD4NPC1
SCHEMBL304726 0.74 KDM4E (0.51) EPHA2EPHB4ERBB2DRD4NPC1
SCHEMBL13984639 0.73 EPHA2 (0.50) EPHA2EPHB4ERBB2DRD4BUB1
SCHEMBL1848811 0.73 EPHA2 (0.50) EPHA2EPHB4ERBB2DRD4BUB1
SCHEMBL4510923 0.73 EPHA2 (0.54) EPHA2EPHB4ERBB2DRD4RET
SCHEMBL31076359 0.72 EPHA2 (0.51) EPHA2EPHB4ERBB2DRD4PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 — — WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 — — US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 — — US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 — — 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 (1 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 EPHA2 678/4885EPHB4 362/4885ERBB2 1353/4885

“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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