SCHEMBL492589

SCHEMBL492589

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)COCC2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.40
HTR7 P34969 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASP3 P42574 2/20 0.36
CASP7 P55210 2/20 0.36
TSHR P16473 2/20 0.36
PAX8 Q06710 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL492536 0.93 HTR7 (0.38) NPC1RAB9AHTR7HTR1ADRD2
SCHEMBL492595 0.93 HTR7 (0.37) NPC1RAB9AHTR7HTR1ADRD2
SCHEMBL492998 0.91 HTR7 (0.40) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL492943 0.91 HTR7 (0.39) NPC1RAB9AHTR7HTR1ADRD2
SCHEMBL492624 0.90 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL493984 0.89 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL493222 0.89 SMN1; SMN2 (0.44) NPC1RAB9AHTR7HTR1ADRD2
SCHEMBL492691 0.87 NPC1 (0.51) NPC1RAB9ATSHRPAX8HCRTR1
SCHEMBL492926 0.87 HTR7 (0.41) NPC1RAB9AHTR7HTR1ADRD2
SCHEMBL492667 0.86 PTGIR (0.39) RAB9AHTR7HTR1ADRD2HTR1D

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 NPC1 519/4885RAB9A 2004/4885HTR7 1873/4885

“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.