SCHEMBL1144301

SCHEMBL1144301

COc1cc(-n2nnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCO

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.59
CHRM4 P08173 1/20 0.57
CYP3A4 P08684 1/20 0.57
CHRM5 P08912 1/20 0.57
ADRA2A P08913 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
ADRA1D P25100 1/20 0.57
HTR1D P28221 1/20 0.57
HTR2C P28335 1/20 0.57
CYP2C19 P33261 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57
HTR5A P47898 1/20 0.57
KCNH2 Q12809 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL1144789 0.89 MCHR1 (0.57) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1144521 0.89 MCHR1 (0.56) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1144345 0.89 MCHR1 (0.75) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1144342 0.87 MCHR1 (0.55) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1144181 0.86 MCHR1 (0.53) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1144777 0.86 MCHR1 (0.51) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1144326 0.86 MCHR1 (0.55) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1144727 0.86 MCHR1 (0.53) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL5592459 0.85 MCHR1 (0.60) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL1144640 0.85 MCHR1 (0.55) MCHR1CHRM4CYP3A4CHRM5ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142554-B1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2142554-B1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-7973159-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-05 US disclosed
US-7973159-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-05 US disclosed
US-7973159-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-05 US disclosed
US-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 US disclosed
US-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 US disclosed
US-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 US disclosed
US-7851622-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-14 US disclosed
US-7851622-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-14 US disclosed
US-7851622-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-14 US disclosed
EP-2142554-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2010-01-13 EP disclosed
WO-2008134480-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-06 WO disclosed
WO-2008134480-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-06 WO disclosed
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety BRISTOL-MYERS SQUIBB COMPANY 2008-10-30 US disclosed
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety BRISTOL-MYERS SQUIBB COMPANY 2008-10-30 US disclosed
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety BRISTOL-MYERS SQUIBB COMPANY 2008-10-30 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 (2 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-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885CHRM4 272/4885CYP3A4 1376/4885
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety MCHR1, MCHR2, MC3R MCHR1 1/4885CHRM4 156/4885CYP3A4 623/4885

“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.