SCHEMBL1328347

SCHEMBL1328347

CN(C)C(c1ccc(Cl)cc1)C1CCC(O)(CCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
OPRL1 P41146 4/20 0.47
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
GRIN2B Q13224 2/20 0.40
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCL2A1 Q16548 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL1327110 0.88 OPRL1 (0.44) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL1326828 0.82 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1SLC6A2
SCHEMBL1327102 0.81 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1SLC6A2
SCHEMBL1327481 0.81 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL1328422 0.80 OPRM1 (0.42) OPRM1OPRL1OPRD1OPRK1SLC6A2
SCHEMBL1328131 0.79 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL2308501 0.79 OPRL1 (0.49) OPRM1OPRL1OPRD1OPRK1GRIN2B
Hydrochloric Acid SCHEMBL1328299 0.78 OPRL1 (0.51) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL1327622 0.77 GRIN2B (0.39) GRIN2BSLC6A2SLC6A4BCL2A1
SCHEMBL1326520 0.76 GRIN2B (0.46) OPRM1GRIN2BUTS2RSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
JP-2009520720-A 2009-05-28 JP claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R OPRM1 57/4885OPRL1 238/4885OPRD1 129/4885

“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.