SCHEMBL4495617

SCHEMBL4495617

CC(C)(C)OC(=O)N1CCC(CNc2nc3c(C(=O)O)cccc3[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.56
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
PRMT5 O14744 1/20 0.49
TGFBR1 P36897 4/20 0.47
HTR3A P46098 2/20 0.47
HTR4 Q13639 2/20 0.47

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 0.92 PARP1 (0.56) PARP1KDM4EPKMPRMT5TGFBR1
SCHEMBL4495515 0.87 PARP1 (0.55) PARP1KDM4EPKMPRMT5HTR3A
SCHEMBL4495524 0.86 PARP1 (0.51) PARP1KDM4EPKMPRMT5TGFBR1
SCHEMBL4496187 0.85 PARP1 (0.49) PARP1KDM4EPKMPRMT5TGFBR1
SCHEMBL4502102 0.84 KDM4E (0.55) PARP1KDM4EPKMPRMT5TGFBR1
SCHEMBL4514765 0.81 KDM4E (0.53) PARP1KDM4EPKMPRMT5TGFBR1
SCHEMBL828769 0.79 HTR3A (0.62) PARP1KDM4EPKMHTR3AHTR4
SCHEMBL4516401 0.79 PARP1 (0.48) PARP1KDM4E
SCHEMBL828868 0.78 HTR3A (0.76) PARP1KDM4EPKMHTR3AHTR4
SCHEMBL8354967 0.76 BACE1 (0.53) PRMT5TGFBR1

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 972/4885KDM4E 3395/4885PKM 3885/4885

“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.