SCHEMBL1993399

SCHEMBL1993399

CC(C)(C)OC(=O)N(CCCO)CC(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
NR1D1 P20393 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1993403 1.00 NPC1 (0.43) NPC1ALDH1A1KDM4EGAAHPGD
SCHEMBL1680888 0.93 NPC1 (0.44) NPC1ALDH1A1KDM4EGAAHPGD
SCHEMBL16796556 0.93 NPC1 (0.44) NPC1ALDH1A1KDM4EGAAHPGD
SCHEMBL16796536 0.93 NPC1 (0.44) NPC1ALDH1A1KDM4EGAAHPGD
SCHEMBL18119915 0.83 NPC1 (0.40) NPC1ALDH1A1KDM4EHPGDMEN1
SCHEMBL19491672 0.83 NPC1 (0.40) NPC1ALDH1A1KDM4EHPGDMEN1
SCHEMBL18119916 0.83 NPC1 (0.40) NPC1ALDH1A1KDM4EHPGDMEN1
SCHEMBL1989446 0.82 ALDH1A1 (0.49) NPC1ALDH1A1KDM4EGAAMEN1
SCHEMBL17177098 0.82 KCNH2 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL12695301 0.78 BACE1 (0.36) NPC1ALDH1A1KDM4EHPGDMEN1

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 NPC1 937/4885ALDH1A1 440/4885KDM4E 1864/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPC1 937/4885ALDH1A1 440/4885KDM4E 1864/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPC1 937/4885ALDH1A1 440/4885KDM4E 1864/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPC1 937/4885ALDH1A1 440/4885KDM4E 1864/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NPC1 937/4885ALDH1A1 440/4885KDM4E 1864/4885

“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.