SCHEMBL1997960

SCHEMBL1997960

CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 6/20 0.58
NPFFR2 Q9Y5X5 6/20 0.58
DPP4 P27487 1/20 0.51
CYP2D6 P10635 4/20 0.49
ALDH1A1 P00352 3/20 0.47
MCHR1 Q99705 1/20 0.47
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
OPRL1 P41146 1/20 0.45
DRD2 P14416 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
SCHEMBL1031172 0.93 NPFFR1 (0.53) NPFFR1NPFFR2DPP4CYP2D6ALDH1A1
SCHEMBL8606869 0.86 NPFFR1 (0.57) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL22055750 0.86 POLB (0.47) NPFFR1NPFFR2MCHR1KMT2ASIGMAR1
SCHEMBL7504889 0.86 CYP2D6 (0.52) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL23268296 0.85 NPFFR1 (0.56) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL17606484 0.85 NPFFR1 (0.61) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL6703813 0.85 NPFFR1 (0.61) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL7315847 0.85 NPFFR1 (0.56) NPFFR1NPFFR2DPP4CYP2D6ALDH1A1
SCHEMBL3958497 0.84 CYP2D6 (0.62) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL7578999 0.84 NPFFR1 (0.55) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2024-03-19 US disclosed
US-11840536-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
CN-112351780-B Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2023-12-01 CN disclosed
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-04-13 US disclosed
EP-3463343-B1 HETEROCYCLIC INHIBITORS OF PTPN11 UNIV TEXAS (US) 2022-03-23 EP disclosed
US-20210317122-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 Cantero Therapeutics, Inc. 2021-10-14 US disclosed
CN-109475531-B Heterocyclic inhibitors of PTPN11 得克萨斯州立大学董事会 2021-08-17 CN disclosed
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2021-03-23 US disclosed
EP-3787627-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 Navire Pharma, Inc. (US) 2021-03-10 EP disclosed
CN-112351780-A Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2021-02-09 CN disclosed
EP-3463343-A1 HETEROCYCLIC INHIBITORS OF PTPN11 Board of Regents, University of Texas System (US) 2019-04-10 EP disclosed
WO-2017210134-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2017-12-07 WO disclosed
US-20170342078-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-11-30 US disclosed
WO-2012066077-A1 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2012-05-24 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-5723611-A Heteroarylpiperidines SANOFI (FR) 1998-03-03 US disclosed
US-5595994-A 1-Halopyrazin- and 1-halopyrimidin-4-amino-4-alkylpiperidines SANOFI (FR) 1997-01-21 US disclosed
US-5502063-A 1-halopyridin-4-amino-4-alkylpiperidines SANOFI (FR) 1996-03-26 US disclosed
CN-1106400-A Heteroarylpiperidines, process for their preparation and pharmaceutical compositions in which they are present SANOFI SA (FR) 1995-08-09 CN disclosed
EP-0647639-A1 Heteroarylpiperidines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-04-12 EP 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 (7 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-20170342078-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP NPFFR1 3527/4885NPFFR2 3750/4885DPP4 1080/4885
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP NPFFR1 3527/4885NPFFR2 3750/4885DPP4 1080/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO NPFFR1 1122/4885NPFFR2 1410/4885DPP4 521/4885
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP NPFFR1 3434/4885NPFFR2 3644/4885DPP4 962/4885
US-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP NPFFR1 3434/4885NPFFR2 3644/4885DPP4 962/4885
US-20210317122-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 PTPN11, PTPRJ, PTPRCAP NPFFR1 3434/4885NPFFR2 3644/4885DPP4 962/4885
US-11840536-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP NPFFR1 3527/4885NPFFR2 3750/4885DPP4 1080/4885

“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.