SCHEMBL609601

SCHEMBL609601

CC(C)c1ccc2c(c1)[C@H](N)CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.48
CYP3A4 P08684 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
KARS1 Q15046 2/20 0.36
RXRA P19793 1/20 0.35
CCNE1 P24864 1/20 0.35

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
Hydrochloric Acid SCHEMBL8708412 0.98 ACHE (0.47) ACHECYP3A4MEN1KMT2ATSHR
SCHEMBL20840965 0.90 ACHE (0.44) ACHECYP3A4MEN1KMT2ATSHR
SCHEMBL10257512 0.87 CHRNB2 (0.39) ACHECYP3A4MEN1KMT2ATSHR
SCHEMBL10257602 0.87 CHRNB2 (0.39) ACHECYP3A4MEN1KMT2ATSHR
SCHEMBL21065442 0.80 UGT2B17 (0.40) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL609159 0.77 ACHE (0.51) ACHELMNA
SCHEMBL5273464 0.77 ACHE (0.51) ACHELMNA
SCHEMBL16543142 0.77 ACHE (0.51) ACHELMNA
SCHEMBL30099795 0.77 ACHE (0.50) ACHECYP3A4
SCHEMBL10258004 0.76 CHRNB2 (0.41) ACHECYP3A4MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 ACHE 2139/4885CYP3A4 673/4885MEN1 4653/4885
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 2489/4885CYP3A4 697/4885MEN1 4642/4885

“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.