SCHEMBL492995

SCHEMBL492995

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)COCCNS(=O)(=O)c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.35
OPRM1 P35372 2/20 0.35
SGMS1 Q86VZ5 1/20 0.34
TACR3 P29371 2/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MAOA P21397 2/20 0.33
ACHE P22303 2/20 0.33
MAOB P27338 2/20 0.33
CHRM4 P08173 3/20 0.32
PTGIR P43119 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL493355 0.94 PTGIR (0.37) OPRL1OPRM1SGMS1TACR3OPRD1
SCHEMBL492259 0.92 SGMS1 (0.33) SGMS1ACHECHRM4MEN1KMT2A
SCHEMBL493375 0.89 OPRL1 (0.36) OPRL1OPRM1SGMS1TACR3MEN1
SCHEMBL492602 0.88 PTGIR (0.37) SGMS1MAOAACHEMAOBCHRM4
SCHEMBL492939 0.86 PTGIR (0.39) OPRK1ACHEPTGIRMEN1KMT2A
SCHEMBL492240 0.86 PTGIR (0.36) SGMS1ACHEPTGIRMEN1KMT2A
SCHEMBL492679 0.84 ALDH1A1 (0.34) MAOAACHEMAOBCHRM4
SCHEMBL493050 0.81 RAB9A (0.37) KMT2ACNR2CYP2D6CYP2C19
SCHEMBL492654 0.81 FAAH (0.38) SGMS1ACHEPTGIRMEN1KMT2A
SCHEMBL492676 0.81 CNR1 (0.35) CNR2CYP2D6

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD OPRL1 4/4885OPRM1 20/4885SGMS1 75/4885

“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.