SCHEMBL492796

SCHEMBL492796

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COCC2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
TSHR P16473 3/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL493108 0.98 GAA (0.42) HTR7MEN1KMT2AGAAPOLB
SCHEMBL492926 0.92 HTR7 (0.41) HTR7MEN1KMT2AGAAPOLB
SCHEMBL492743 0.90 HTR7 (0.38) HTR7MEN1KMT2AHTR1ADRD2
SCHEMBL493222 0.90 SMN1; SMN2 (0.44) HTR7MEN1KMT2AGAAPOLB
SCHEMBL493368 0.90 HCRTR1 (0.41) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL492943 0.89 HTR7 (0.39) HTR7MEN1KMT2AHTR1ADRD2
SCHEMBL493022 0.89 HTR7 (0.36) HTR7MEN1KMT2AHTR1ADRD2
SCHEMBL493035 0.88 FKBP1A (0.42) MEN1KMT2AGAAPOLBSMN1; SMN2
SCHEMBL492696 0.88 NPC1 (0.44) KMT2APOLBHCRTR1HCRTR2TSHR
SCHEMBL492595 0.87 HTR7 (0.37) HTR7SMN1; SMN2HTR1ADRD2HTR1D

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 HTR7 1873/4885MEN1 4132/4885KMT2A 1749/4885

“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.