SCHEMBL13007337

SCHEMBL13007337

COc1cccc(COc2cc3ccn(C)c(=O)c3cc2OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.66
MTNR1B P49286 2/20 0.66
CSF1R P07333 2/20 0.49
PDGFRB P09619 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49
MAOB P27338 3/20 0.47
PKM P14618 1/20 0.47
MAOA P21397 1/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCB1 P08183 2/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.44
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 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
SCHEMBL13007335 1.00 MTNR1A (0.66) MTNR1AMTNR1BCSF1RPDGFRBFLT4
SCHEMBL13007334 0.90 MTNR1A (0.52) MTNR1AMTNR1BABCB1CTSLCTSB
SCHEMBL13007336 0.90 MTNR1A (0.52) MTNR1AMTNR1BABCB1CTSLCTSB
SCHEMBL16328854 0.80 TNF (0.53) MTNR1AMTNR1BMAPTPOLBLMNA
SCHEMBL13007341 0.80 MTNR1A (1.00) MTNR1AMTNR1BCSF1RPDGFRBFLT4
SCHEMBL14149433 0.78 TNF (0.48) MTNR1AMTNR1BMAPTPOLBLMNA
SCHEMBL13007333 0.75 TNF (0.46) MTNR1AMTNR1BMAPTLMNA
SCHEMBL14106255 0.72 TNF (0.47) MTNR1AMTNR1BMAPTPOLBLMNA
SCHEMBL9922451 0.70 KDM4E (0.49) MTNR1AMTNR1BMAPTSMN1; SMN2HSD17B10
SCHEMBL9922460 0.70 TXNRD1 (0.46) MTNR1AMTNR1BMAPTSMN1; SMN2HSD17B10

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 2/4885CSF1R 850/4885

“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.