SCHEMBL600126

SCHEMBL600126

COCC(=O)NC1CCOc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ MAPK1 P28482 3/20 0.48
▸ P2RX7 Q99572 4/20 0.47
▸ BDKRB1 P46663 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ TRPV1 Q8NER1 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
SCHEMBL600125 1.00 DRD2 (0.49) DRD2HTR2ADRD3MAPK1P2RX7
SCHEMBL4861089 0.82 ALDH1A1 (0.58) P2RX7BDKRB1CNR1CNR2TRPV1
SCHEMBL1265177 0.81 P2RX7 (0.47) DRD2HTR2ADRD3P2RX7CNR1
SCHEMBL1265178 0.81 P2RX7 (0.47) DRD2HTR2ADRD3P2RX7CNR1
SCHEMBL22454626 0.81 HSD17B10 (0.50) P2RX7BDKRB1CNR1CNR2TRPV1
SCHEMBL599782 0.80 TRPV1 (0.49) DRD2HTR2ADRD3MAPK1CNR1
SCHEMBL14452760 0.80 TRPV1 (0.49) DRD2HTR2ADRD3MAPK1CNR1
SCHEMBL14277888 0.80 TRPV1 (0.49) DRD2HTR2ADRD3MAPK1CNR1
SCHEMBL803487 0.80 TRPV1 (0.49) DRD2HTR2ADRD3MAPK1CNR1
SCHEMBL4858955 0.80 CNR1 (0.45) P2RX7BDKRB1CNR1CNR2TRPV1

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-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 (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-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 DRD2 929/4885HTR2A 2081/4885DRD3 838/4885
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 DRD2 1176/4885HTR2A 2238/4885DRD3 1103/4885

“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.

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