SCHEMBL345654

SCHEMBL345654

CC(C)(C)N(CCC1CCNCC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.38
GABRB2 P47870 3/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRR1 P24046 1/20 0.38
ITGB3 P05106 8/20 0.37
ITGA2B P08514 8/20 0.37
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
F2R P25116 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL27166484 0.90 ITGB3 (0.41) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL927784 0.84 GABRA5 (0.39) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL345833 0.84 SLC6A1 (0.32) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL4484354 0.79 ITGB3 (0.46) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL222367 0.78 SLC6A1 (0.49) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL3613801 0.78 SLC6A1 (0.49) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL222368 0.78 SLC6A1 (0.49) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL23826437 0.75 GABRA5 (0.34) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL21997973 0.74 LSS (0.32) ITGB3ITGA2BSLC6A2SLC6A4
SCHEMBL1320915 0.73 KMT2A (0.40) GABRA5GABRB2SLC6A1SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 CN disclosed
US-9630945-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-04-25 US disclosed
US-9409895-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2016-08-09 US disclosed
EP-2964654-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-01-13 EP disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
US-20150307475-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2015-10-29 US disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 US disclosed
WO-2014138562-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-12 WO disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A GABRA5 258/4885GABRB2 606/4885SLC6A1 791/4885
US-20150307475-A1 Autotaxin inhibitors ENPP2, ATXN10, ATXN2L GABRA5 3785/4885GABRB2 3459/4885SLC6A1 2649/4885
US-20080139539-A1 Antibacterial Agents NQO2, NQO1, NRDC GABRA5 4213/4885GABRB2 4258/4885SLC6A1 4378/4885
US-20090181955-A1 Antibacterial Agents NQO2, NQO1, NRDC GABRA5 4213/4885GABRB2 4258/4885SLC6A1 4378/4885
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS SIRT2, SIRT1, SIRT6 GABRA5 3237/4885GABRB2 2724/4885SLC6A1 4835/4885

“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.