SCHEMBL4502102

SCHEMBL4502102

CC(C)(C)OC(=O)N1CCC(CNc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
BCHE P06276 1/20 0.55
PRMT5 O14744 1/20 0.52
GRIN2B Q13224 2/20 0.51
TBK1 Q9UHD2 3/20 0.48
PDE10A Q9Y233 1/20 0.47
PARP1 P09874 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TGFBR1 P36897 1/20 0.46
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
BRD4 O60885 1/20 0.46
CHEK2 O96017 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 1/20 0.45
ITGB5 P18084 1/20 0.45
KDM1A O60341 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL4514765 0.87 KDM4E (0.53) KDM4EPKMPRMT5GRIN2BPARP1
SCHEMBL8354967 0.85 BACE1 (0.53) PRMT5TBK1TGFBR1CHEK2
SCHEMBL3875180 0.84 ALDH1A1 (0.52) BCHEPRMT5PDE10APARP1SMN1; SMN2
SCHEMBL5897564 0.84 HTR2B (0.53) GRIN2BSMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL4495617 0.84 PARP1 (0.56) KDM4EPKMPRMT5PARP1TGFBR1
SCHEMBL4503780 0.83 PARP1 (0.56) KDM4EPKMPRMT5PARP1TGFBR1
SCHEMBL4496634 0.82 MAPT (0.47) KDM4EPKMPRMT5TBK1BRD4
SCHEMBL4496187 0.82 PARP1 (0.49) KDM4EPKMPRMT5PARP1TGFBR1
SCHEMBL4495524 0.80 PARP1 (0.51) KDM4EPKMPRMT5PARP1TGFBR1
SCHEMBL4495515 0.79 PARP1 (0.55) KDM4EPKMPRMT5PARP1

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 6 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-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP disclosed
US-20040259864-A1 Substituted pyrimidinone derivatives as ligands of integrin receptors ABBOTT GMBH & CO. KG (DE) 2004-12-23 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 (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-20040259864-A1 Substituted pyrimidinone derivatives as ligands of integrin receptors ITGB3, ITGA5, ITGB5 KDM4E 3060/4885PKM 3799/4885BCHE 4800/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 KDM4E 3395/4885PKM 3885/4885BCHE 3739/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B KDM4E 4341/4885PKM 4368/4885BCHE 4602/4885

“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.