SCHEMBL3861889

SCHEMBL3861889

CCN(CC)CCOc1ccc(N(C)C(=O)C#Cc2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.64
ACACB O00763 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP3A4 P08684 1/20 0.44
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ESR1 P03372 1/20 0.42
DRD2 P14416 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL3856302 0.90 MCHR1 (0.51) MCHR1ACACBCYP1A2EBPSIGMAR1
SCHEMBL3859101 0.89 MCHR1 (0.53) MCHR1ACACBCYP1A2CYP2D6EBP
SCHEMBL10970158 0.81 MCHR1 (0.91) MCHR1ACACBCYP1A2CYP2D6EBP
SCHEMBL13683745 0.81 MCHR1 (0.93) MCHR1CYP1A2CYP2D6EBPSIGMAR1
SCHEMBL28290037 0.79 NPSR1 (0.57) CYP1A2CYP3A4
SCHEMBL3857792 0.78 MCHR1 (0.46) MCHR1ACACBEBPSIGMAR1MAOB
SCHEMBL3861887 0.77 MCHR1 (0.59) MCHR1ACACBCYP1A2CYP2D6CYP3A4
SCHEMBL13683422 0.75 MCHR1 (0.43) MCHR1ACACBEBPSIGMAR1MAOB
SCHEMBL28291465 0.74 NPSR1 (0.54) ACACB
SCHEMBL10676256 0.72 MCHR1 (0.60) MCHR1CYP1A2CYP2D6EBPSIGMAR1

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 3 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-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 1/4885ACACB 992/4885CYP1A2 3673/4885

“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.