SCHEMBL493560

SCHEMBL493560

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.40
LMNA P02545 2/20 0.37
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
EPHX2 P34913 1/20 0.34
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL492948 0.93 LMNA (0.37) BDKRB1LMNARAB9ANPC1HPGD
SCHEMBL492955 0.93 BDKRB1 (0.41) BDKRB1RAB9AKMT2AHPGDMEN1
SCHEMBL492545 0.92 BDKRB1 (0.39) BDKRB1LMNARAB9ANPC1KMT2A
SCHEMBL493135 0.89 BDKRB1 (0.39) BDKRB1NPC1KMT2AHPGD
SCHEMBL492945 0.88 LMNA (0.41) LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL493268 0.88 LMNA (0.38) LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL493431 0.87 BDKRB1 (0.38) BDKRB1NPC1KMT2AHPGD
SCHEMBL493098 0.87 OPRL1 (0.38) BDKRB1RAB9ANPC1HPGDATM
SCHEMBL493575 0.87 BDKRB1 (0.41) BDKRB1LMNA
SCHEMBL492534 0.86 LMNA (0.37) BDKRB1LMNARAB9ANPC1KMT2A

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 1622/4885LMNA 2485/4885RAB9A 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.