SCHEMBL1328149

SCHEMBL1328149

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)CC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.49
KCNQ2 O43526 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
BRD4 O60885 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
SSTR4 P31391 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR2 P41597 1/20 0.37
OPRM1 P35372 2/20 0.36
TACR3 P29371 1/20 0.36

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
SCHEMBL1326524 0.87 HPGD (0.45) OPRL1MEN1KMT2AOPRM1
SCHEMBL1327796 0.85 OPRL1 (0.43) OPRL1KCNQ2HDAC4HDAC7HDAC5
SCHEMBL1326636 0.85 SIGMAR1 (0.54) OPRL1SIGMAR1MEN1KMT2AOPRM1
SCHEMBL1328192 0.82 LMNA (0.54) OPRL1SIGMAR1CCR2OPRM1
SCHEMBL1326511 0.81 OPRL1 (0.48) OPRL1BRD4MEN1KMT2A
SCHEMBL1326770 0.81 OPRL1 (0.48) OPRL1BRD4TACR3
SCHEMBL493344 0.80 OPRL1 (0.45) OPRL1SIGMAR1BRD4MEN1KMT2A
SCHEMBL492896 0.79 ATF4 (0.57) OPRL1MEN1KMT2A
SCHEMBL1326310 0.79 OPRL1 (0.48) OPRL1KCNQ2MEN1KMT2AOPRM1
SCHEMBL2307830 0.78 GRM5 (0.47) OPRL1BRD4

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 8 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
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN 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
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 OPRL1 238/4885KCNQ2 573/4885SIGMAR1 174/4885

“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.