SCHEMBL5254402

SCHEMBL5254402

COc1cc(-n2cnc3nc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 1.00
KCNH2 Q12809 2/20 0.73
CHRM4 P08173 1/20 0.73
CYP3A4 P08684 1/20 0.73
CHRM5 P08912 1/20 0.73
ADRA2A P08913 1/20 0.73
CYP2D6 P10635 1/20 0.73
CHRM1 P11229 1/20 0.73
CHRM3 P20309 1/20 0.73
ADRA1D P25100 1/20 0.73
HTR1D P28221 1/20 0.73
HTR2C P28335 1/20 0.73
CYP2C19 P33261 1/20 0.73
DRD3 P35462 1/20 0.73
HTR2B P41595 1/20 0.73
HTR5A P47898 1/20 0.73
TMEM97 Q5BJF2 1/20 0.73
SIGMAR1 Q99720 1/20 0.73
HRH3 Q9Y5N1 1/20 0.73

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
SCHEMBL2075781 0.87 MCHR1 (0.77) MCHR1KCNH2CHRM4CYP3A4CHRM5
Hydrochloric Acid SCHEMBL2076148 0.86 MCHR1 (0.76) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL29707233 0.84 MCHR1 (1.00) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL2669495 0.84 MCHR1 (1.00) MCHR1KCNH2CHRM4CYP3A4CHRM5
Citric Acid SCHEMBL2076677 0.80 MCHR1 (0.67) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5258406 0.80 MCHR1 (0.92) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL2072885 0.80 MCHR1 (0.67) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL4221913 0.80 MCHR1 (0.75) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5255979 0.80 MCHR1 (1.00) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5383169 0.80 MCHR1 (1.00) MCHR1KCNH2CHRM4CYP3A4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 EP disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 EP disclosed
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-04 US disclosed
EP-1442025-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2004-08-04 EP disclosed
WO-2003033476-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2003-04-24 WO 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-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 MC1R, MCHR1, MCHR2 MCHR1 2/4885KCNH2 3606/4885CHRM4 2712/4885

“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.