SCHEMBL124730

SCHEMBL124730

COc1ccc2cccc(C=CC(N)=O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.64
MTNR1B P49286 4/20 0.64
HDAC8 Q9BY41 1/20 0.49
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL124729 1.00 MTNR1A (0.64) MTNR1AMTNR1BHDAC8HTR2CHTR2B
SCHEMBL7009577 0.87 MTNR1A (0.66) MTNR1AMTNR1BHDAC8MEN1ALDH1A1
SCHEMBL7009575 0.87 MTNR1A (0.66) MTNR1AMTNR1BHDAC8MEN1ALDH1A1
SCHEMBL7007025 0.84 MTNR1A (0.62) MTNR1AMTNR1BHDAC8HTR2CHTR2B
SCHEMBL7007021 0.84 MTNR1A (0.62) MTNR1AMTNR1BHDAC8HTR2CHTR2B
SCHEMBL7228520 0.82 MTNR1A (0.59) MTNR1AMTNR1BHDAC8CYP1A2
SCHEMBL7228521 0.82 MTNR1A (0.59) MTNR1AMTNR1BHDAC8CYP1A2
SCHEMBL10298599 0.79 MTNR1A (0.62) MTNR1AMTNR1BHTR2CHTR2BCYP1A2
SCHEMBL17183736 0.79 ALDH1A1 (0.53) MTNR1AMTNR1BHDAC8CYP1A2MEN1
SCHEMBL17183696 0.78 ALDH1A1 (0.51) MTNR1AMTNR1BHDAC8CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245363-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2012-09-27 US disclosed
US-8212077-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-07-03 US disclosed
EP-2151428-B1 Process for the preparation of agomelatin SERVIER LAB (FR) 2012-03-07 EP disclosed
WO-2010015745-A1 NOVEL METHOD FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2010-02-11 WO disclosed
US-20100036162-A1 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2010-02-11 US disclosed
EP-2151428-A1 Process for the preparation of agomelatin Les Laboratoires Servier (FR) 2010-02-10 EP 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-20120245363-A1 PROCESS FOR THE SYNTHESIS OF AGOMELATINE COMT, PNMT, TPH1 MTNR1A 331/4885MTNR1B 293/4885HDAC8 4114/4885
US-20100036162-A1 Process for the synthesis of agomelatine COMT, PNMT, TPH1 MTNR1A 331/4885MTNR1B 293/4885HDAC8 4114/4885

“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.