SCHEMBL3301708

SCHEMBL3301708

CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCc4cc([N+](=O)[O-])ccc43)nn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
GPR119 Q8TDV5 8/20 0.47
GAA P10253 1/20 0.47
MAP4K4 O95819 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
NR1H2 P55055 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3295644 0.88 ALDH1A1 (0.53) MAPTLMNAALDH1A1GPR119MAP4K4
SCHEMBL3298405 0.85 NR1H2 (0.55) GPR119MAP4K4SMARCA2SMARCA4PBRM1
SCHEMBL3294682 0.85 LMNA (0.51) MAPTLMNAALDH1A1GPR119MAP4K4
SCHEMBL3300592 0.84 HTR2C (0.40) MAPTLMNAALDH1A1GPR119GAA
SCHEMBL3303215 0.83 ALDH1A1 (0.48) MAPTLMNAALDH1A1GPR119NR1H2
SCHEMBL3304134 0.78 ALDH1A1 (0.54) MAPTLMNAALDH1A1GAA
SCHEMBL515580 0.77 GPR119 (0.59) GPR119
SCHEMBL3300901 0.77 MAPT (0.55) MAPTLMNAALDH1A1GPR119GAA
SCHEMBL25404908 0.77 ALDH1A1 (0.70) MAPTLMNAALDH1A1GAASMARCA2
SCHEMBL1810972 0.77 ALDH1A1 (0.70) MAPTLMNAALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP 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
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 MAPT 947/4885LMNA 1244/4885ALDH1A1 1848/4885

“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.