SCHEMBL1991541

SCHEMBL1991541

CC(C)(C)OC(=O)N1CC[C@H](C(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
MGLL Q99685 1/20 0.51
HSD11B1 P28845 1/20 0.51
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
HPGD P15428 1/20 0.49
USP30 Q70CQ3 2/20 0.47
GPR119 Q8TDV5 2/20 0.47
STS P08842 4/20 0.46
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL1991537 1.00 KMT2A (0.52) KMT2APOLBMGLLHSD11B1ABL1
SCHEMBL29537844 1.00 KMT2A (0.52) KMT2APOLBMGLLHSD11B1ABL1
SCHEMBL4235957 0.92 MGLL (0.56) KMT2APOLBMGLLHSD11B1ABL1
SCHEMBL4192895 0.89 RORC (0.48) KMT2APOLBMGLLHSD11B1ABL1
SCHEMBL5478514 0.87 HSD11B1 (0.57) KMT2APOLBMGLLHSD11B1MEN1
SCHEMBL2145998 0.87 HSD11B1 (0.57) KMT2APOLBMGLLHSD11B1MEN1
SCHEMBL407900 0.87 KDM4E (0.56) KMT2APTPN2PTPN1PTPN6HPGD
SCHEMBL21848120 0.87 KDM4E (0.56) KMT2APTPN2PTPN1PTPN6HPGD
SCHEMBL1156326 0.87 KDM4E (0.56) KMT2APTPN2PTPN1PTPN6HPGD
SCHEMBL390649 0.82 USP30 (0.48) ABL1RIN1PTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4508031-A1 NOVEL SUBSTITUTED FLUORINATED N-PROPYL-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2025-02-19 EP disclosed
WO-2023198901-A1 NOVEL SUBSTITUTED 4-AMINO-4-OXO-BUT-2-ENYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-19 WO disclosed
WO-2023198879-A1 NOVEL SUBSTITUTED FLUORINATED N-PROPYL-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-19 WO disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 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
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 KMT2A 846/4885POLB 2718/4885MGLL 746/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R KMT2A 846/4885POLB 2718/4885MGLL 746/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R KMT2A 846/4885POLB 2718/4885MGLL 746/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R KMT2A 846/4885POLB 2718/4885MGLL 746/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R KMT2A 846/4885POLB 2718/4885MGLL 746/4885

“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.