SCHEMBL1328170

SCHEMBL1328170

CN(C)C(c1cccc(F)c1)C1CCC(C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.43
ALDH1A1 P00352 1/20 0.38
TACR3 P29371 4/20 0.38
OPRM1 P35372 2/20 0.38
SLC6A4 P31645 1/20 0.38
KDR P35968 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP2C9 P11712 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AOC3 Q16853 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL644291 0.84 LMNA (0.40) ALDH1A1AOC3MEN1KMT2A
SCHEMBL644949 0.84 TDP1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL1326919 0.82 SLC6A4 (0.45) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL492779 0.82 AOC3 (0.43) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL493150 0.81 OPRL1 (0.38) OPRL1TACR3OPRM1SLC6A4KDR
SCHEMBL493392 0.79 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL492704 0.79 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL3587092 0.79 OPRL1 (0.49) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL493073 0.79 AOC3 (0.41) OPRL1OPRM1SLC6A4KDRSLC6A3
SCHEMBL1328154 0.79 OPRL1 (0.42) OPRL1TACR3OPRM1SLC6A4KDR

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 10 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
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 OPRL1 238/4885ALDH1A1 1333/4885TACR3 1307/4885

“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.