SCHEMBL13007341

SCHEMBL13007341

COc1cccc(COc2c(OC)ccc3c(=O)n(C)ccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 1.00
MTNR1B P49286 1/20 1.00
MAOB P27338 3/20 0.45
PKM P14618 1/20 0.45
MAOA P21397 1/20 0.45
HTR1A P08908 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
GRM2 Q14416 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 2/20 0.42
ABCB1 P08183 2/20 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
SCHEMBL13007345 0.90 MTNR1B (0.81) MTNR1AMTNR1BCNR2POLBABCB1
SCHEMBL13007327 0.87 MTNR1A (0.77) MTNR1AMTNR1BBCHEMEN1KMT2A
SCHEMBL13007340 0.81 MTNR1A (0.68) MTNR1AMTNR1BMAOBMAOABCHE
SCHEMBL13007337 0.80 MTNR1A (0.66) MTNR1AMTNR1BMAOBPKMMAOA
SCHEMBL13007335 0.80 MTNR1A (0.66) MTNR1AMTNR1BMAOBPKMMAOA
SCHEMBL13061402 0.74 CNR2 (0.59) MTNR1AMTNR1BGRM2NPC1RAB9A
SCHEMBL13007331 0.73 MTNR1A (0.58) MTNR1AMTNR1BNPC1RAB9ACNR2
SCHEMBL27972960 0.70 MTNR1A (0.54) MTNR1AMTNR1BHTR1AADRA1DADRA1A
SCHEMBL13047167 0.69 POLB (0.67) MTNR1AMTNR1BGRM2MEN1KMT2A
SCHEMBL15957895 0.69 TP53 (0.55) MTNR1AMTNR1BNPC1POLBTP53

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
US-8389544-B2 Isoquinolone compounds as subtype-selective agonists for melatonin receptors MT1 and MT2 THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-03-05 US disclosed
US-8389544-B2 Isoquinolone compounds as subtype-selective agonists for melatonin receptors MT1 and MT2 THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-03-05 US disclosed
US-20100317691-A1 ISOQUINOLONE COMPOUNDS AS SUBTYPE-SELECTIVE AGONISTS FOR MELATONIN RECEPTORS MT1 AND MT2 THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-12-16 US disclosed
US-20100317691-A1 ISOQUINOLONE COMPOUNDS AS SUBTYPE-SELECTIVE AGONISTS FOR MELATONIN RECEPTORS MT1 AND MT2 THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-12-16 US disclosed
WO-2008092292-A1 ISOQUINOLONE COMPOUNDS AS SUBTYPE-SELECTIVE AGONISTS FOR MELATONIN RECEPTORS MT1 AND MT2 THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-08-07 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-20100317691-A1 ISOQUINOLONE COMPOUNDS AS SUBTYPE-SELECTIVE AGONISTS FOR MELATONIN RECEPTORS MT1 AND MT2 MTNR1A, MTNR1B, MC2R MTNR1A 1/4885MTNR1B 2/4885MAOB 1854/4885

“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.