SCHEMBL2393391

SCHEMBL2393391

COc1cc(-n2cnc3ccc(-c4ccc(Cl)cc4)n3c2=O)ccc1OCC(C)(O)CO

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.55
CHRM4 P08173 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL2208636 0.92 MCHR1 (0.64) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2394062 0.89 MCHR1 (0.54) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2393029 0.86 MCHR1 (0.51) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL15441631 0.85 MCHR1 (0.51) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2390036 0.84 MCHR1 (0.49) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2209360 0.83 MCHR1 (0.49) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2394368 0.83 MCHR1 (0.49) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2388824 0.83 MCHR1 (0.47) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2393014 0.82 MCHR1 (0.45) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2387820 0.81 MCHR1 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346872-B1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-11-25 EP disclosed
US-8754211-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-30 US disclosed
US-8580959-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-12 US disclosed
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2011-09-08 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-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885CHRM4 658/4885CYP3A4 364/4885
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885CHRM4 658/4885CYP3A4 364/4885

“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.