SCHEMBL4495524

SCHEMBL4495524

CCN(OC)C(=O)c1cccc2[nH]c(NCC3CCN(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 11/20 0.51
▸ HTR3A P46098 3/20 0.46
▸ HTR4 Q13639 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ RIPK1 Q13546 1/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39

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
SCHEMBL4503780 0.87 PARP1 (0.56) PARP1HTR3AHTR4KDM4EPKM
SCHEMBL4495617 0.86 PARP1 (0.56) PARP1HTR3AHTR4KDM4EPKM
SCHEMBL4495515 0.83 PARP1 (0.55) PARP1HTR3AHTR4KDM4EPKM
SCHEMBL4502102 0.80 KDM4E (0.55) PARP1KDM4EPKMPRMT5TGFBR1
SCHEMBL4496187 0.80 PARP1 (0.49) PARP1KDM4EPKMPRMT5TGFBR1
SCHEMBL4514765 0.76 KDM4E (0.53) PARP1KDM4EPKMPRMT5TGFBR1
SCHEMBL828769 0.74 HTR3A (0.62) PARP1HTR3AHTR4KDM4EPKM
SCHEMBL8354967 0.73 BACE1 (0.53) PRMT5TGFBR1
SCHEMBL828868 0.72 HTR3A (0.76) PARP1HTR3AHTR4KDM4EPKM
SCHEMBL828678 0.71 HTR4 (0.67) PARP1HTR3AHTR4KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 — — US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 — — US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 — — EP 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 PARP1 972/4885HTR3A 46/4885HTR4 692/4885

“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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