SCHEMBL1992669

SCHEMBL1992669

CNc1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
PDE4B Q07343 1/20 0.56
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
SLC18A3 Q16572 1/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL1992672 1.00 NAMPT (0.58) NAMPTPDE4BPTPN2PTPN1PTPN6
SCHEMBL6917648 0.94 NAMPT (0.52) NAMPTPDE4BPTPN2PTPN1PTPN6
SCHEMBL6917548 0.92 NAMPT (0.67) NAMPTPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL18937651 0.85 PDE4B (0.60) NAMPTPDE4BPTPN2PTPN1PTPN6
SCHEMBL12321142 0.85 PDE4B (0.60) NAMPTPDE4BALDH1A1RAB9ANPC1
SCHEMBL9409412 0.85 PDE4B (0.59) NAMPTPDE4BPTPN2PTPN1PTPN6
SCHEMBL1989164 0.84 NAMPT (0.65) NAMPTPDE4BPTPN2PTPN1PTPN6
SCHEMBL1989165 0.84 NAMPT (0.65) NAMPTPDE4BPTPN2PTPN1PTPN6
SCHEMBL1828228 0.84 PDE4B (0.58) NAMPTPDE4BALDH1A1RAB9ANPC1
SCHEMBL503247 0.84 PDE4B (0.58) NAMPTPDE4BALDH1A1RAB9ANPC1

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 18 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
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
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-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
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-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US 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-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 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
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 1606/4885PDE4B 1008/4885PTPN2 2000/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885PDE4B 1008/4885PTPN2 2000/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885PDE4B 1008/4885PTPN2 2000/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885PDE4B 1008/4885PTPN2 2000/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NAMPT 1606/4885PDE4B 1008/4885PTPN2 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.