SCHEMBL3095804

SCHEMBL3095804

O=C(OCc1ccccc1)[C@@H]1CCC(NOCc2ccccc2)CN1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
BACE1 P56817 1/20 0.42
HTR2C P28335 1/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
FKBP1A P62942 2/20 0.39
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16013527 1.00 TSHR (0.48) TSHRALDH1A1GAABACE1HTR2C
SCHEMBL14244150 1.00 TSHR (0.48) TSHRALDH1A1GAABACE1HTR2C
SCHEMBL14296735 1.00 TSHR (0.48) TSHRALDH1A1GAABACE1HTR2C
SCHEMBL15309564 1.00 TSHR (0.48) TSHRALDH1A1GAABACE1HTR2C
Oxalic Acid SCHEMBL14783050 0.98 TSHR (0.46) TSHRALDH1A1GAABACE1HTR2C
Oxalic Acid SCHEMBL14783046 0.98 TSHR (0.46) TSHRALDH1A1GAABACE1HTR2C
Oxalic Acid SCHEMBL28411657 0.98 TSHR (0.46) TSHRALDH1A1GAABACE1HTR2C
Oxalic Acid SCHEMBL14783047 0.98 TSHR (0.46) TSHRALDH1A1GAABACE1HTR2C
Oxalic Acid SCHEMBL15309424 0.98 TSHR (0.46) TSHRALDH1A1GAABACE1HTR2C
Oxalic Acid SCHEMBL28403878 0.98 TSHR (0.46) TSHRALDH1A1GAABACE1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3269717-B9 POLYMORPHIC AND PSEUDOPOLYMORPHIC FORMS OF PHARMACEUTICAL COMPOUND NXL104 PFIZER IRELAND PHARMACEUTICALS (IE) 2023-08-09 EP disclosed
EP-3269717-B2 POLYMORPHIC AND PSEUDOPOLYMORPHIC FORMS OF PHARMACEUTICAL COMPOUND NXL104 PFIZER IRELAND PHARMACEUTICALS (IE) 2023-06-14 EP disclosed
US-9862718-B2 Sodium salt of (2S, 5R)-6-benzyloxy-7-oxo-1,6-diaza-bicyclo [3.2.1] octane-2-carboxylic acid and its preparation WOCKHARDT LIMITED (IN) 2018-01-09 US disclosed
US-20170210742-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT FOREST LABORATORIES HOLDINGS LTD (BM) 2017-07-27 US disclosed
US-9695122-B2 Processes for preparing heterocyclic compounds including trans-7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide and salts thereof FOREST LABORATORIES HOLDINGS LTD. (BM) 2017-07-04 US disclosed
WO-2017045510-A1 Β-LACTAMASE INHIBITOR AND APPLICATION THEREOF 山东轩竹医药科技有限公司 2017-03-23 WO disclosed
US-9580424-B2 Crystalline forms of trans-7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide sodium salt FOREST LABORATORIES HOLDINGS LIMITED (BM) 2017-02-28 US disclosed
US-20170022160-A1 PROCESSES FOR PREPARING HETEROCYCLIC COMPOUNDS INCLUDING TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE AND SALTS THEREOF ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2017-01-26 US disclosed
EP-2650281-B1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS KANEKA CORP (JP) 2016-07-13 EP disclosed
US-9284314-B2 Processes for preparing heterocyclic compounds including trans-7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide and salts thereof FOREST LABORATORIES HOLDINGS LTD. (BM) 2016-03-15 US disclosed
US-20140163230-A1 PROCESSES FOR PREPARING HETEROCYCLIC COMPOUNDS INCLUDING TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE AND SALTS THEREOF FOREST LABORATORIES HOLDINGS LTD. (BM) 2014-06-12 US disclosed
US-20130303771-A1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS KANEKA CORPORATION (JP) 2013-11-14 US disclosed
EP-2650281-A1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS KANEKA CORPORATION (JP) 2013-10-16 EP disclosed
US-20130267480-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2013-10-10 US disclosed
US-8471025-B2 Crystalline forms of trans-7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide sodium salt ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2013-06-25 US disclosed
US-20130012712-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES FOREST LABORATORIES HOLDINGS LTD. (BM) 2013-01-10 US disclosed
US-20120323010-A1 PROCESSES FOR PREPARING HETEROCYCLIC COMPOUNDS INCLUDING TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE AND SALTS THEREOF FOREST LABORATORIES HOLDINGS LTD. (BM) 2012-12-20 US disclosed
US-8288553-B2 Method for preparing disubstituted piperidine and intermediates FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-10-16 US disclosed
US-20110152311-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT FOREST LABORATORIES HOLDINGS LTD. (BM) 2011-06-23 US disclosed
US-20100197928-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES NOVEXEL (FR) 2010-08-05 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 (9 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-20110152311-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT SLC10A6, SLC5A2, SLC5A1 TSHR 772/4885ALDH1A1 4203/4885GAA 2465/4885
US-20130012712-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES OGDH, FPGS, PLOD1 TSHR 4499/4885ALDH1A1 449/4885GAA 258/4885
US-20130267480-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT SLC10A6, SLC5A2, SLC5A1 TSHR 772/4885ALDH1A1 4203/4885GAA 2465/4885
US-20120323010-A1 PROCESSES FOR PREPARING HETEROCYCLIC COMPOUNDS INCLUDING TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE AND SALTS THEREOF PYM1, SPIN4, ENO1 TSHR 1486/4885ALDH1A1 2329/4885GAA 2644/4885
US-20170210742-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT SLC10A6, SLC5A2, SLC5A1 TSHR 772/4885ALDH1A1 4203/4885GAA 2465/4885
US-20130303771-A1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS SMS, SRM, PAM TSHR 909/4885ALDH1A1 2956/4885GAA 3197/4885
US-20140163230-A1 PROCESSES FOR PREPARING HETEROCYCLIC COMPOUNDS INCLUDING TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE AND SALTS THEREOF PYM1, SPIN4, ENO1 TSHR 1486/4885ALDH1A1 2329/4885GAA 2644/4885
US-20100197928-A1 METHOD FOR PREPARING DISUBSTITUTED PIPERIDINE AND INTERMEDIATES OGDH, FPGS, PLOD1 TSHR 4499/4885ALDH1A1 449/4885GAA 258/4885
US-20170022160-A1 PROCESSES FOR PREPARING HETEROCYCLIC COMPOUNDS INCLUDING TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE AND SALTS THEREOF PYM1, SPIN4, ENO1 TSHR 1486/4885ALDH1A1 2329/4885GAA 2644/4885

“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.