SCHEMBL3303569

SCHEMBL3303569

N#Cc1ccc(C(=O)CCCCCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
HRH1 P35367 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH2 P25021 1/20 0.43
MMP3 P08254 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
SCHEMBL1780120 0.85 MAPT (0.56) GSK3BHRH1RAB9AMAPTALDH1A1
SCHEMBL9440264 0.81 HSD17B3 (0.65) GSK3BHRH1HTR7RAB9AHRH2
SCHEMBL8466864 0.81 HSD17B3 (0.62) GSK3BHRH1HTR1ADRD2HTR2A
SCHEMBL9352586 0.81 GSK3B (0.58) GSK3BHRH1HTR1ADRD2HTR2A
SCHEMBL1657827 0.80 GSK3B (0.66) GSK3BCA1CA2RAB9AMAPT
SCHEMBL7753711 0.79 GSK3B (0.51) GSK3BHRH1HTR1ADRD2HTR2A
SCHEMBL20547722 0.79 GSK3B (0.59) GSK3BCA1CA2RAB9AMAPT
Ammonia Solution, Strong SCHEMBL9863379 0.78 GSK3B (0.63) GSK3BCA1CA2RAB9AMAPT
SCHEMBL10964996 0.78 NPC1 (0.73) RAB9AMAPTALDH1A1NPC1L3MBTL1
SCHEMBL5660844 0.78 GSK3B (0.61) GSK3BHRH1HTR1ADRD2HTR2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236818-B2 Substituted imidazopyridine derivatives as melanocortin-4 receptor antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2012-08-07 US disclosed
EP-2265615-A1 IMIDAZOPYRIMIDINE, IMIDAZOPYRAZINE AND IMIDAZOPYRIDAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-12-29 EP disclosed
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-15 US disclosed
EP-2144907-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-01-20 EP disclosed
WO-2009115321-A1 MIDAZOPYRIMIDINE, IMIDAZOPYRAZINE AND IMIDAZOPYRIDAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-09-24 WO disclosed
EP-2103614-A1 Substituted imidazopyrimidine, imidazopyrazine and imidazopyridazine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-09-23 EP disclosed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
WO-2008116665-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-10-02 WO disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP 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-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists MC4R, MC3R, MC5R GSK3B 2804/4885HRH1 660/4885HTR1A 65/4885

“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.