SCHEMBL12460836

SCHEMBL12460836

COC(=O)C(C(=O)OC)[C@@H](c1ccccc1)c1c[nH]c2cccc(OC)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HAT1 O14929 1/20 0.40
EP300 Q09472 1/20 0.40
RCE1 Q9Y256 1/20 0.40
HTR2A P28223 2/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
MMP9 P14780 1/20 0.38
HTR6 P50406 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1714319 0.91 MTNR1A (0.44) MTNR1AMTNR1BKMT2AMEN1HAT1
SCHEMBL1714318 0.91 MTNR1A (0.44) MTNR1AMTNR1BKMT2AMEN1HAT1
SCHEMBL1713519 0.90 MTNR1A (0.42) MTNR1AMTNR1BKMT2AMEN1HAT1
SCHEMBL1713521 0.90 MTNR1A (0.42) MTNR1AMTNR1BKMT2AMEN1HAT1
SCHEMBL12461079 0.85 MTNR1A (0.41) MTNR1AMTNR1BKMT2AMEN1HAT1
SCHEMBL1713524 0.82 MTNR1A (0.39) MTNR1AMTNR1BKMT2AMEN1HAT1
SCHEMBL1714010 0.77 MTNR1A (0.46) MTNR1AMTNR1BHAT1EP300HTR2A
SCHEMBL1714014 0.77 MTNR1A (0.46) MTNR1AMTNR1BHAT1EP300HTR2A
SCHEMBL3224665 0.73 JAK2 (0.39) MAPTTDP1
SCHEMBL27479109 0.73 HTR2A (0.51) MTNR1AMTNR1BKMT2AMEN1HTR2A

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
EP-1957454-B1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7598399-B2 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC (US) 2009-10-06 US disclosed
US-7598399-B2 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC (US) 2009-10-06 US disclosed
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC 2007-06-14 US disclosed
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC 2007-06-14 US disclosed
WO-2007062994-A1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 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-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles TPH1, TPH2, HTR1A MTNR1A 25/4885MTNR1B 38/4885KMT2A 445/4885

“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.