SCHEMBL493022

SCHEMBL493022

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COCC2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.36
FKBP1A P62942 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1E P28566 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TSHR P16473 2/20 0.35
PTGIR P43119 2/20 0.35
OPRL1 P41146 2/20 0.35
CASP3 P42574 2/20 0.35
CASP7 P55210 2/20 0.35
RECQL P46063 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL492743 0.98 HTR7 (0.38) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL492595 0.93 HTR7 (0.37) HTR7FKBP1AHTR1ADRD2HTR1D
SCHEMBL492536 0.93 HTR7 (0.38) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL492667 0.93 PTGIR (0.39) HTR7FKBP1AHTR1ADRD2HTR1D
SCHEMBL492943 0.91 HTR7 (0.39) HTR7FKBP1AHTR1ADRD2HTR1D
SCHEMBL493108 0.91 GAA (0.42) HTR7FKBP1AHTR1ADRD2HTR1D
SCHEMBL492998 0.90 HTR7 (0.40) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL492825 0.90 HTR7 (0.41) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL492503 0.90 FKBP1A (0.41) FKBP1AHCRTR1HCRTR2KMT2ANPC1
SCHEMBL493183 0.90 NPC1 (0.44) HCRTR1HCRTR2TSHRKMT2ANPC1

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 4 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 1873/4885FKBP1A 835/4885HTR1A 1725/4885

“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.