SCHEMBL2389094

SCHEMBL2389094

COc1cc(-n2cnc3ncc(-c4ccc(Cl)cc4)n3c2=O)ccc1OCCN1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.67
KCNH2 Q12809 2/20 0.64
HTR2C P28335 2/20 0.64
CHRM4 P08173 1/20 0.64
CYP3A4 P08684 1/20 0.64
CHRM5 P08912 1/20 0.64
ADRA2A P08913 1/20 0.64
CYP2D6 P10635 1/20 0.64
CHRM1 P11229 1/20 0.64
CHRM3 P20309 1/20 0.64
ADRA1D P25100 1/20 0.64
HTR1D P28221 1/20 0.64
CYP2C19 P33261 1/20 0.64
DRD3 P35462 1/20 0.64
HTR2B P41595 1/20 0.64
HTR5A P47898 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
HTR2A P28223 1/20 0.52

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
SCHEMBL2395775 0.89 MCHR1 (0.68) MCHR1KCNH2HTR2CCHRM4CYP3A4
SCHEMBL5383169 0.80 MCHR1 (1.00) MCHR1KCNH2HTR2CCHRM4CYP3A4
SCHEMBL5255979 0.78 MCHR1 (1.00) MCHR1KCNH2HTR2CCHRM4CYP3A4
SCHEMBL29707233 0.78 MCHR1 (1.00) MCHR1KCNH2HTR2CCHRM4CYP3A4
SCHEMBL2669495 0.78 MCHR1 (1.00) MCHR1KCNH2HTR2CCHRM4CYP3A4
SCHEMBL12257779 0.77 MCHR1 (1.00) MCHR1KCNH2HTR2CCHRM4CYP3A4
SCHEMBL2390072 0.76 MCHR1 (1.00) MCHR1KCNH2HTR2CCHRM4CYP3A4
SCHEMBL5255792 0.76 MCHR1 (0.86) MCHR1KCNH2HTR2CCHRM4CYP3A4
SCHEMBL12257796 0.76 MCHR1 (1.00) MCHR1KCNH2HTR2CCHRM4CYP3A4
SCHEMBL5254402 0.76 MCHR1 (1.00) MCHR1KCNH2HTR2CCHRM4CYP3A4

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 1/4885KCNH2 3611/4885HTR2C 327/4885
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 3611/4885HTR2C 327/4885

“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.