SCHEMBL492545

SCHEMBL492545

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.39
OPRL1 P41146 2/20 0.39
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TACR3 P29371 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL493098 0.95 OPRL1 (0.38) BDKRB1OPRL1RAB9ANPC1PKM
SCHEMBL493560 0.92 BDKRB1 (0.40) BDKRB1RAB9ANPC1NPSR1KMT2A
SCHEMBL492955 0.91 BDKRB1 (0.41) BDKRB1RAB9ATSHRNPSR1KMT2A
SCHEMBL493055 0.90 OPRL1 (0.39) OPRL1RAB9ANPC1KMT2AMEN1
SCHEMBL493973 0.89 OPRL1 (0.37) BDKRB1OPRL1RAB9ANPC1NPSR1
SCHEMBL493043 0.89 BDKRB1 (0.38) BDKRB1OPRL1TACR3
SCHEMBL493262 0.88 BDKRB1 (0.49) BDKRB1
SCHEMBL492894 0.88 BDKRB1 (0.37) BDKRB1OPRL1TACR3
SCHEMBL492948 0.86 LMNA (0.37) BDKRB1RAB9ANPC1PKMNPSR1
SCHEMBL492815 0.86 BDKRB1 (0.36) BDKRB1NPSR1KMT2AMEN1GAA

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 BDKRB1 1622/4885OPRL1 4/4885RAB9A 2004/4885

“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.