SCHEMBL1229637

SCHEMBL1229637

[CH2]NCc1cc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
OPRK1 P41145 1/20 0.54
IDO1 P14902 2/20 0.52
CASR P41180 2/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
AHR P35869 1/20 0.47

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
SCHEMBL24027062 0.82 LOXL2 (0.63) LOXL2OPRK1IDO1CASRMTNR1A
SCHEMBL1460651 0.82 LOXL2 (0.58) LOXL2OPRK1IDO1CASRMTNR1A
SCHEMBL10549005 0.79 LOXL2 (0.55) LOXL2OPRK1IDO1CASRMTNR1A
SCHEMBL11982489 0.79 OPRK1 (0.57) LOXL2OPRK1IDO1CASRMTNR1A
SCHEMBL219867 0.79 LOXL2 (0.64) LOXL2OPRK1IDO1MTNR1AMTNR1B
SCHEMBL1616728 0.79 IDO1 (0.56) LOXL2OPRK1IDO1CASRMTNR1A
SCHEMBL401081 0.79 LOXL2 (0.69) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL7169246 0.79 LOXL2 (0.69) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL29403791 0.79 LOXL2 (0.69) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL28338445 0.79 LOXL2 (0.69) LOXL2MTNR1AMTNR1BHRH3AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
WO-2011017009-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP disclosed
WO-2011017009-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC LOXL2 2421/4885OPRK1 4239/4885IDO1 4057/4885

“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.