SCHEMBL6011532

SCHEMBL6011532

CC(C)(C)OC(=O)N1CCC(CCSc2ccc(N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.50
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6011556 0.89 GPR119 (0.62) GPR119KDM4EPKMMAPT
SCHEMBL5763005 0.88 GPR119 (0.51) GPR119KDM4EPKM
SCHEMBL8444736 0.88 KDM4E (0.59) GPR119KDM4EPKMALDH1A1NPC1
SCHEMBL6011369 0.82 GPR119 (0.56) GPR119
SCHEMBL14783164 0.81 FAAH (0.51) GPR119KDM4EPKMALDH1A1NPC1
SCHEMBL1886051 0.81 GPR119 (0.54) GPR119KDM4EALDH1A1NPC1MAPT
SCHEMBL25845751 0.81 GPR119 (0.64) GPR119KDM4EPKMALDH1A1NPC1
SCHEMBL4773737 0.80 KDM4E (0.52) GPR119KDM4EPKMALDH1A1NPC1
SCHEMBL23453749 0.80 GPR119 (0.60) GPR119ALDH1A1
SCHEMBL1575127 0.80 GPR119 (0.54) GPR119KDM4EPKMALDH1A1NPC1

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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 WO 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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 GPR119 142/4885KDM4E 4262/4885PKM 1689/4885

“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.