SCHEMBL1328174

SCHEMBL1328174

CN(C)C(c1ccccc1)C1CCC(CCC(C(N)=O)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
KMT2A Q03164 2/20 0.36
CCR5 P51681 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGIR P43119 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
OPRM1 P35372 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL1328757 0.81 HSD11B1 (0.39) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL493294 0.79 IDO1 (0.37) OPRM1
SCHEMBL1327172 0.79 KDM4E (0.38) PTGIROPRM1
SCHEMBL27751630 0.78 KDM5A (0.41) KMT2APTGIRMEN1
SCHEMBL1327174 0.77 PTGIR (0.36) KMT2APTGIRMEN1OPRM1
SCHEMBL27731163 0.77 TACR2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4PTGIR
SCHEMBL644949 0.76 TDP1 (0.46) KMT2AALOX5MEN1
SCHEMBL1326984 0.76 KDM4E (0.40) CHRNB2CHRNB4CHRNA3CHRNA4PTGIR
SCHEMBL492714 0.76 IDO1 (0.39) OPRM1
SCHEMBL2311312 0.75 SLC18A2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN disclosed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R EPHX1 1526/4885KMT2A 2886/4885CCR5 771/4885

“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.