SCHEMBL493098

SCHEMBL493098

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.38
BDKRB1 P46663 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TACR3 P29371 2/20 0.35
SLC9A3 P48764 3/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ESR2 Q92731 1/20 0.33
OPRM1 P35372 2/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 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
SCHEMBL492545 0.95 BDKRB1 (0.39) OPRL1BDKRB1NPC1RAB9ATACR3
SCHEMBL492948 0.91 LMNA (0.37) BDKRB1NPC1RAB9AGAANPSR1
SCHEMBL492815 0.91 BDKRB1 (0.36) BDKRB1SLC9A3GAANPSR1KDM4E
SCHEMBL493973 0.91 OPRL1 (0.37) OPRL1BDKRB1NPC1RAB9ANPSR1
SCHEMBL493055 0.90 OPRL1 (0.39) OPRL1NPC1RAB9ASLC9A3ALDH1A1
SCHEMBL494153 0.89 PTGIR (0.35) OPRL1BDKRB1TACR3SLC9A3OPRM1
SCHEMBL492577 0.88 SLC9A3 (0.36) OPRL1BDKRB1TACR3SLC9A3OPRM1
SCHEMBL493560 0.87 BDKRB1 (0.40) BDKRB1NPC1RAB9ANPSR1HPGD
SCHEMBL493265 0.87 BDKRB1 (0.35) BDKRB1SLC9A3GAANPSR1KDM4E
SCHEMBL493262 0.86 BDKRB1 (0.49) BDKRB1

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 4/4885BDKRB1 1622/4885NPC1 519/4885

“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.