SCHEMBL1993906

SCHEMBL1993906

CC(C)(C)OC(=O)N1CC[C@H](OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
BCHE P06276 1/20 0.46
NR1D1 P20393 2/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
GPR119 Q8TDV5 6/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
USP30 Q70CQ3 1/20 0.41
HPGD P15428 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL1993903 1.00 ALDH1A1 (0.54) ALDH1A1LMNAMAPTBCHENR1D1
SCHEMBL15498175 0.88 PRMT5 (0.45) ALDH1A1LMNAMAPTBCHENR1D1
SCHEMBL654435 0.84 STS (0.49) ALDH1A1LMNANR1D1PRMT5WDR77
SCHEMBL1990877 0.84 PRMT5 (0.48) ALDH1A1MAPTPRMT5WDR77GPR119
SCHEMBL21668749 0.84 LIPG (0.49) PRMT5WDR77GPR119DDB1CRBN
SCHEMBL23839391 0.84 LIPG (0.49) PRMT5WDR77GPR119DDB1CRBN
SCHEMBL1990876 0.84 PRMT5 (0.48) ALDH1A1MAPTPRMT5WDR77GPR119
SCHEMBL651653 0.84 STS (0.49) ALDH1A1LMNANR1D1PRMT5WDR77
SCHEMBL651652 0.84 STS (0.49) ALDH1A1LMNANR1D1PRMT5WDR77
SCHEMBL20503925 0.84 JAK2 (0.55) LMNABCHEPRMT5WDR77GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (5 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885LMNA 3001/4885MAPT 387/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885LMNA 3001/4885MAPT 387/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885LMNA 3001/4885MAPT 387/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885LMNA 3001/4885MAPT 387/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R ALDH1A1 440/4885LMNA 3001/4885MAPT 387/4885

“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.