SCHEMBL2074596

SCHEMBL2074596

O=C(O)C1CCN(Cc2ccccc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
CXCR4 P61073 5/20 0.63
ALDH1A1 P00352 3/20 0.62
ATM Q13315 1/20 0.62
SIGMAR1 Q99720 2/20 0.61
FAAH O00519 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP2A13 Q16696 2/20 0.55
DRD4 P21917 1/20 0.54

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
SCHEMBL28910476 0.86 CXCR4 (0.61) POLBCXCR4ALDH1A1ATMSIGMAR1
SCHEMBL23673413 0.85 POLB (0.50) POLBCXCR4ALDH1A1ATMSIGMAR1
SCHEMBL29783875 0.85 POLB (0.50) POLBCXCR4ALDH1A1ATMSIGMAR1
SCHEMBL28534607 0.84 CXCR4 (0.58) POLBCXCR4ALDH1A1ATMSIGMAR1
SCHEMBL28543178 0.84 CXCR4 (0.58) POLBCXCR4ALDH1A1ATMSIGMAR1
SCHEMBL2070462 0.84 EPHX2 (0.67) SIGMAR1CYP2A13
SCHEMBL1519223 0.83 MEN1 (0.69) SIGMAR1FAAHL3MBTL1MEN1KMT2A
SCHEMBL30377416 0.83 ALDH1A1 (0.62) POLBALDH1A1ATMSIGMAR1KDM4E
Hydrochloric Acid SCHEMBL2551741 0.82 MEN1 (0.68) SIGMAR1FAAHL3MBTL1MEN1KMT2A
SCHEMBL8551996 0.82 CXCR4 (0.69) POLBCXCR4ALDH1A1ATMSIGMAR1

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-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US disclosed
EP-1660481-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
WO-2005016915-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-02-24 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-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators TRPV1, CNR1, OPRM1 POLB 3992/4885CXCR4 486/4885ALDH1A1 1905/4885

“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.