SCHEMBL1996211

SCHEMBL1996211

CCOC(=O)Nc1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
MAPT P10636 6/20 0.54
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
PDE4B Q07343 2/20 0.50
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
STAT1 P42224 1/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL1996214 1.00 NAMPT (0.57) NAMPTMAPTPTPN2PTPN1PTPN6
SCHEMBL8986417 0.93 NAMPT (0.65) NAMPTMAPTPTPN2PTPN1PTPN6
SCHEMBL31386285 0.84 PDE4B (0.53) NAMPTMAPTPDE4BSMN1; SMN2TP53
SCHEMBL8986471 0.84 MAPT (0.58) NAMPTMAPTABL1RIN1ALDH1A1
SCHEMBL1990474 0.83 NAMPT (0.49) NAMPTMAPTPTPN2PTPN1PTPN6
SCHEMBL29538137 0.83 NAMPT (0.49) NAMPTMAPTPTPN2PTPN1PTPN6
SCHEMBL1990473 0.83 NAMPT (0.49) NAMPTMAPTPTPN2PTPN1PTPN6
SCHEMBL10156800 0.83 NAMPT (0.60) NAMPTMAPTPTPN2PTPN1PTPN6
SCHEMBL1988842 0.83 NAMPT (0.60) NAMPTMAPTPTPN2PTPN1PTPN6
SCHEMBL1988843 0.83 NAMPT (0.60) NAMPTMAPTPTPN2PTPN1PTPN6

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 8 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
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 NAMPT 1606/4885MAPT 387/4885PTPN2 2000/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885MAPT 387/4885PTPN2 2000/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885MAPT 387/4885PTPN2 2000/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885MAPT 387/4885PTPN2 2000/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NAMPT 1606/4885MAPT 387/4885PTPN2 2000/4885

“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.