SCHEMBL830122

SCHEMBL830122

COc1ccc2cccc(C(=O)C(=O)O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.67
CNR2 P34972 2/20 0.49
MTNR1B P49286 5/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 1/20 0.49
NQO2 P16083 2/20 0.48

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
SCHEMBL8610416 0.93 MTNR1A (0.59) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL3327762 0.87 MTNR1A (0.70) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL829359 0.86 MTNR1A (0.65) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL8534816 0.86 MTNR1A (0.69) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL31392475 0.84 MTNR1A (0.70) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL10856546 0.84 MTNR1A (0.70) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL29140999 0.83 MTNR1A (0.68) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL8531407 0.81 MTNR1A (0.59) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL8531417 0.81 MTNR1A (0.59) MTNR1ACNR2MTNR1BHTR2CHTR2B
SCHEMBL8531706 0.81 MTNR1A (0.59) MTNR1ACNR2MTNR1BHTR2CHTR2B

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
WO-2016046833-A2 IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-03-31 WO disclosed
WO-2014064706-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-05-01 WO disclosed
CN-103012185-A preparation method of agomelatine medicament for treating depression LIAONING BENYUAN PHARMACY CO LTD 2013-04-03 CN disclosed
US-8143449-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-03-27 US disclosed
US-20100036163-A1 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2010-02-11 US disclosed
EP-2151429-A1 Process for the preparation of agomelatin Les Laboratoires Servier (FR) 2010-02-10 EP disclosed
EP-0819111-A1 FUNGICIDAL COMPOUNDS AgrEvo UK Limited (GB) 1998-01-21 EP disclosed
WO-1996029301-A1 FUNGICIDAL COMPOUNDS AGREVO UK LIMITED (GB) 1996-09-26 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-20100036163-A1 Process for the synthesis of agomelatine COMT, PNMT, TPH1 MTNR1A 331/4885CNR2 1335/4885MTNR1B 293/4885

“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.