SCHEMBL493208

SCHEMBL493208

CN(CCOCC(=O)NCC1CCC(C(c2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
TACR1 P25103 8/20 0.36
TACR3 P29371 4/20 0.36
NAPEPLD Q6IQ20 3/20 0.36
PTGIR P43119 2/20 0.34
TACR2 P21452 1/20 0.34
CHRM4 P08173 1/20 0.33
BDKRB1 P46663 1/20 0.33
FAAH O00519 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TRPM8 Q7Z2W7 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
SCHEMBL492758 0.94 GRM5 (0.38) GRM5TACR1PTGIRTACR2CHRM4
SCHEMBL492623 0.93 NAPEPLD (0.36) NAPEPLDPTGIRBDKRB1FAAHBCHE
SCHEMBL493578 0.91 NAPEPLD (0.37) NAPEPLDPTGIRBDKRB1
SCHEMBL493151 0.91 TACR1 (0.37) TACR1TACR3TACR2BDKRB1TRPM8
SCHEMBL493395 0.88 NAPEPLD (0.37) GRM5NAPEPLDCHRM4FAAHBCHE
SCHEMBL493688 0.86 PTGIR (0.37) PTGIRBDKRB1FAAHBCHEACHE
SCHEMBL493425 0.86 CNR2 (0.37) NAPEPLDPTGIRBDKRB1FAAHBCHE
SCHEMBL493804 0.84 BDKRB1 (0.38) PTGIRBDKRB1FAAHBCHEACHE
SCHEMBL493034 0.84 BDKRB1 (0.49) BDKRB1
SCHEMBL493360 0.84 LMNA (0.39) TACR1TACR2BDKRB1

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 GRM5 1566/4885TACR1 1774/4885TACR3 3947/4885

“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.