SCHEMBL3857543

SCHEMBL3857543

CCN(CC)CCOc1ccc(NC(=O)C#Cc2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.66
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.41
ALK Q9UM73 2/20 0.41
ACACB O00763 2/20 0.40
KDR P35968 2/20 0.39
VCP P55072 1/20 0.39
MAPT P10636 1/20 0.39
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39

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
Hydrochloric Acid SCHEMBL3858022 0.99 HRH3 (0.64) HRH3KDM4EACHEMAOBALK
SCHEMBL3858072 0.88 HRH3 (0.68) HRH3ACACBKDRKMT2AABL1
SCHEMBL13683414 0.83 HRH3 (0.61) HRH3KDM4EMAOBKDRKMT2A
SCHEMBL13683793 0.81 HRH3 (0.69) HRH3KDM4EMAOBMAPTKMT2A
SCHEMBL3859369 0.80 HRH3 (0.52) HRH3KDM4EKDRMAPTKMT2A
SCHEMBL13683434 0.78 MCHR1 (0.52) HRH3KDM4EACHEKDRMAPT
Hydrochloric Acid SCHEMBL3865321 0.77 MCHR1 (0.52) HRH3KDM4EACHEKDRMAPT
SCHEMBL13683433 0.77 HRH3 (0.48) HRH3KDM4EMAOBKDRMAPT
SCHEMBL3867230 0.76 HRH3 (0.52) HRH3ALKACACBKDRABL1
SCHEMBL13683419 0.74 HRH3 (0.47) HRH3KMT2AEGFR

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-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 HRH3 129/4885KDM4E 1277/4885ACHE 1845/4885

“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.