SCHEMBL3857792

SCHEMBL3857792

CCN(CC)CCOc1ccc(N(C)C(=O)C#Cc2ccc(C)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.46
HRH3 Q9Y5N1 3/20 0.43
EBP Q15125 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ACACB O00763 1/20 0.40
MAOB P27338 1/20 0.39
LCK P06239 2/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 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
SCHEMBL13683422 0.87 MCHR1 (0.43) MCHR1HRH3EBPSIGMAR1KDM4E
SCHEMBL3856302 0.81 MCHR1 (0.51) MCHR1HRH3EBPSIGMAR1KDM4E
SCHEMBL3857788 0.80 HRH3 (0.46) HRH3EBPSIGMAR1ACACBABL1
SCHEMBL3859101 0.79 MCHR1 (0.53) MCHR1HRH3EBPSIGMAR1KDM4E
SCHEMBL3861889 0.78 MCHR1 (0.64) MCHR1EBPSIGMAR1ACACBMAOB
SCHEMBL3867215 0.76 MCHR1 (0.50) MCHR1KDR
SCHEMBL13683439 0.74 MCHR1 (0.61) MCHR1ACHE
SCHEMBL3858072 0.73 HRH3 (0.68) MCHR1HRH3ACACBLCKPOLB
SCHEMBL13683773 0.69 MCHR1 (0.74) MCHR1HRH3EBPSIGMAR1KDM4E
SCHEMBL3857543 0.69 HRH3 (0.66) HRH3KDM4EACACBMAOBACHE

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 2 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-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 MCHR1 1/4885HRH3 129/4885EBP 39/4885

“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.