SCHEMBL3301776

SCHEMBL3301776

CN(C)CCN(C(=O)OC(C)(C)C)c1ccnc(N2CCc3cc([N+](=O)[O-])ccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.43
GPR119 Q8TDV5 9/20 0.38
DRD2 P14416 1/20 0.36
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
GHSR Q92847 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4429771 0.89 ROCK1 (0.46) ROCK1GPR119HTR2CALDH1A1LMNA
SCHEMBL3304229 0.88 NR1H2 (0.40) ROCK1GPR119
SCHEMBL3299787 0.84 ROCK1 (0.40) ROCK1GPR119DRD2HTR2CALDH1A1
SCHEMBL13390147 0.78 ADRB2 (0.40) GPR119MEN1KMT2A
SCHEMBL3301780 0.78 ROCK1 (0.42) ROCK1GPR119DRD2HTR2CALDH1A1
SCHEMBL3305312 0.78 GPR119 (0.37) ROCK1GPR119DRD2HTR2CALDH1A1
SCHEMBL3295550 0.77 ROCK1 (0.45) ROCK1HTR2CMEN1KMT2A
SCHEMBL3294682 0.77 LMNA (0.51) ROCK1GPR119ALDH1A1LMNAMAPT
SCHEMBL13389930 0.76 GPR119 (0.36) ROCK1GPR119
SCHEMBL4440927 0.75 GPR119 (0.41) ROCK1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 ROCK1 712/4885GPR119 177/4885DRD2 4525/4885

“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.