SCHEMBL1994473

SCHEMBL1994473

CC(C)(C)OC(=O)N1CCCOC(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.54
PDE4B Q07343 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NR1D1 P20393 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
GAA P10253 1/20 0.37
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL1994474 1.00 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPDE4BSMN1; SMN2
SCHEMBL16796544 0.93 MAPT (0.56) ALDH1A1MAPTLMNAPDE4BSMN1; SMN2
SCHEMBL1681464 0.93 MAPT (0.56) ALDH1A1MAPTLMNAPDE4BSMN1; SMN2
SCHEMBL16796552 0.93 MAPT (0.56) ALDH1A1MAPTLMNAPDE4BSMN1; SMN2
SCHEMBL1990031 0.84 NR1H2 (0.44) ALDH1A1MAPTPDE4BSMN1; SMN2MEN1
SCHEMBL1990033 0.84 NR1H2 (0.44) ALDH1A1MAPTPDE4BSMN1; SMN2MEN1
SCHEMBL1994521 0.83 ALDH1A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL15747865 0.82 ALDH1A1 (0.58) ALDH1A1MAPTLMNAPDE4BSMN1; SMN2
SCHEMBL2296382 0.81 KMT2A (0.44) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL2294411 0.81 KMT2A (0.44) ALDH1A1MAPTLMNASMN1; SMN2MEN1

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 440/4885MAPT 387/4885LMNA 3001/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885MAPT 387/4885LMNA 3001/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885MAPT 387/4885LMNA 3001/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885MAPT 387/4885LMNA 3001/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R ALDH1A1 440/4885MAPT 387/4885LMNA 3001/4885

“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.