SCHEMBL609159

SCHEMBL609159

Cc1ccc2c(c1)[C@H](N)CCC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.51
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
UGT2B17 O75795 2/20 0.36

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
SCHEMBL5273464 1.00 ACHE (0.51) ACHENOS3NOS1NOS2HTR2C
SCHEMBL16543142 1.00 ACHE (0.51) ACHENOS3NOS1NOS2HTR2C
Hydrochloric Acid SCHEMBL30098541 0.98 ACHE (0.50) ACHENOS3NOS1NOS2HTR2C
SCHEMBL13102425 0.89 ACHE (0.48) ACHEHTR2CSLC6A4HTR2BAADAT
SCHEMBL14537583 0.89 ACHE (0.48) ACHEHTR2CSLC6A4HTR2BAADAT
SCHEMBL354107 0.89 ACHE (0.48) ACHEHTR2CSLC6A4HTR2BAADAT
SCHEMBL1736467 0.89 ACHE (0.48) ACHEHTR2CSLC6A4HTR2BAADAT
SCHEMBL12352440 0.85 ACHE (0.41) ACHENOS3NOS1NOS2SLC6A4
SCHEMBL10069514 0.85 ACHE (0.41) ACHENOS3NOS1NOS2SLC6A4
SCHEMBL12352398 0.85 ACHE (0.41) ACHENOS3NOS1NOS2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US disclosed
EP-1592674-B1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2014-03-05 EP disclosed
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-04-26 US disclosed
US-8114991-B2 Used for the control of a range of harmful weeds BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
EP-2305655-A2 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators. Bayer CropScience AG (DE) 2011-04-06 EP disclosed
EP-1592674-A1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience GmbH (DE) 2005-11-09 EP disclosed
WO-2004069814-A1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2004-08-19 WO disclosed
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2004-08-12 US 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 (3 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-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators CYP4Z1, IL4I1, BCAT1 ACHE 2139/4885NOS3 158/4885NOS1 92/4885
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators IL4I1, DAO, CYP4Z1 ACHE 2489/4885NOS3 165/4885NOS1 116/4885
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP ACHE 496/4885NOS3 1239/4885NOS1 1260/4885

“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.