SCHEMBL5180648

SCHEMBL5180648

COc1ccc2c(c1)C(CCNC(C)=O)CN(c1ccccc1)C2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.62
MTNR1B P49286 17/20 0.62
NQO2 P16083 13/20 0.62
HTR2C P28335 1/20 0.49

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
Hydrochloric Acid SCHEMBL5430370 0.99 MTNR1A (0.61) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6566484 0.88 MTNR1A (0.55) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL5181042 0.84 MTNR1A (0.60) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6567004 0.84 MTNR1A (0.68) MTNR1AMTNR1BNQO2HTR2C
Hydrochloric Acid SCHEMBL5425189 0.83 MTNR1A (0.67) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL5180707 0.80 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR2C
Hydrochloric Acid SCHEMBL5430693 0.79 MTNR1A (0.64) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6245857 0.77 MTNR1A (0.77) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7950293 0.77 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4685402 0.77 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466604-B1 Isoquinoline derivatives, process for their preparation and use thereof in the treatment of melatoninergic system problems SERVIER LAB (FR) 2007-11-07 EP claimed
US-20070191328-A1 Isoquinoline compounds LES LABORATOIRES SERVIER (FR) 2007-08-16 US claimed
US-7214689-B2 Isoquinoline compounds LES LABORATOIRES SERVIER (FR) 2007-05-08 US claimed
US-20040204449-A1 New isoquinoline compounds LES LABORATOIRES SERVIER (FR) 2004-10-14 US claimed
EP-1466604-A1 Isoquinoline derivatives, process for their preparation and use thereof in the treatment of melatoninergic system problems Les Laboratoires Servier (FR) 2004-10-13 EP claimed
CN-1535957-A New isoquinoline compounds, their preparation method and medicine composition contaning them ɪά��ʵ���� 2004-10-13 CN claimed
EP-1466604-B1 Isoquinoline derivatives, process for their preparation and use thereof in the treatment of melatoninergic system problems SERVIER LAB (FR) 2007-11-07 EP disclosed
US-20070191328-A1 Isoquinoline compounds LES LABORATOIRES SERVIER (FR) 2007-08-16 US disclosed
US-7214689-B2 Isoquinoline compounds LES LABORATOIRES SERVIER (FR) 2007-05-08 US disclosed
JP-2004307492-A NEW ISOQUINOLINE COMPOUND, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LAB SERVIER 2004-11-04 JP disclosed
US-20040204449-A1 New isoquinoline compounds LES LABORATOIRES SERVIER (FR) 2004-10-14 US disclosed
EP-1466604-A1 Isoquinoline derivatives, process for their preparation and use thereof in the treatment of melatoninergic system problems Les Laboratoires Servier (FR) 2004-10-13 EP disclosed
CN-1535957-A New isoquinoline compounds, their preparation method and medicine composition contaning them ɪά��ʵ���� 2004-10-13 CN 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-20040204449-A1 New isoquinoline compounds MTNR1A, MTNR1B, HCRTR1 MTNR1A 1/4885MTNR1B 2/4885NQO2 272/4885
US-20070191328-A1 Isoquinoline compounds MTNR1A, MTNR1B, NR1D1 MTNR1A 1/4885MTNR1B 2/4885NQO2 467/4885

“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.