SCHEMBL5108944

SCHEMBL5108944

CCN(CC)CCOc1ccc(NC(=O)C=Cc2ccccn2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.55
ACHE P22303 8/20 0.55
KDR P35968 1/20 0.53
TP53BP1 Q12888 1/20 0.51
NAMPT P43490 1/20 0.47
GRM4 Q14833 1/20 0.46
MCHR1 Q99705 4/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
EGFR P00533 1/20 0.44
SLC2A1 P11166 1/20 0.43

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
SCHEMBL4007931 1.00 BCHE (0.55) BCHEACHEKDRTP53BP1NAMPT
SCHEMBL13811516 0.89 BCHE (0.56) BCHEACHETP53BP1MCHR1HTR2A
SCHEMBL13683770 0.84 GRM4 (0.66) KDRGRM4MCHR1
SCHEMBL13683431 0.78 KDR (0.52) KDRGRM4MCHR1HTR2AHTR2C
SCHEMBL4015144 0.78 BCHE (0.48) BCHEACHEKDRNAMPTMCHR1
SCHEMBL4006802 0.78 KDR (0.50) BCHEACHEKDRMCHR1
SCHEMBL4006797 0.78 KDR (0.50) BCHEACHEKDRMCHR1
SCHEMBL3865174 0.78 KDR (0.62) BCHEACHEKDRMCHR1HTR2A
Hydrochloric Acid SCHEMBL3866249 0.77 KDR (0.51) KDRGRM4MCHR1HTR2AHTR2C
SCHEMBL14209512 0.76 KDR (0.60) KDRMCHR1HTR2AHTR2C

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-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R BCHE 995/4885ACHE 2784/4885KDR 4188/4885

“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.