SCHEMBL870123

SCHEMBL870123

O=C(NCC1CCNC1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRB2 P47870 2/20 0.46
SLC6A12 P48065 2/20 0.46
SLC6A11 P48066 2/20 0.46
SLC6A13 Q9NSD5 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRR1 P24046 1/20 0.46
GABRA4 P48169 1/20 0.46
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
SMYD3 Q9H7B4 2/20 0.40
NAMPT P43490 3/20 0.38
CHRM3 P20309 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
EPHX1 P07099 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
SCHEMBL3451504 1.00 SLC6A1 (0.46) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL870122 1.00 SLC6A1 (0.46) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL2767309 0.98 SLC6A1 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL2768568 0.98 SLC6A1 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3869033 0.90 CHRM3 (0.43) SLC6A1SLC6A11SLC6A13TSHRCHRM3
SCHEMBL14206764 0.90 CHRM3 (0.43) SLC6A1SLC6A11SLC6A13TSHRCHRM3
SCHEMBL14206404 0.90 CHRM3 (0.43) SLC6A1SLC6A11SLC6A13TSHRCHRM3
SCHEMBL2733865 0.89 ALOX15 (0.51) ALOX15TSHRSMYD3CHRM3ALDH1A1
Hydrochloric Acid SCHEMBL3961008 0.89 CHRM3 (0.42) SLC6A1SLC6A11SLC6A13TSHRCHRM3
Hydrochloric Acid SCHEMBL3964071 0.89 CHRM3 (0.42) SLC6A1SLC6A11SLC6A13TSHRCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120077794-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXSMITHKLINE LLC (US) 2012-03-29 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-7709483-B2 Pyrrolo-quinoxalinone derivatives as antibacterials GLAXO GROUP LIMITED (GB) 2010-05-04 US disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080261918-A1 Silicon Compounds and Their Use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
US-20080261918-A1 Silicon Compounds and Their Use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
WO-2007115947-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 WO disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 WO disclosed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 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 (10 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 SLC6A1 3748/4885GABRA5 927/4885GABRB2 866/4885
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 SLC6A1 1765/4885GABRA5 3254/4885GABRB2 3969/4885
US-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 SLC6A1 3512/4885GABRA5 4662/4885GABRB2 4203/4885
US-20080221110-A1 Compounds NRDC, NISCH, MRPL21 SLC6A1 3512/4885GABRA5 4662/4885GABRB2 4203/4885
US-20120077794-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R SLC6A1 925/4885GABRA5 151/4885GABRB2 272/4885
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 SLC6A1 3799/4885GABRA5 4569/4885GABRB2 4087/4885
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 SLC6A1 4274/4885GABRA5 4342/4885GABRB2 3647/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT SLC6A1 3638/4885GABRA5 3648/4885GABRB2 3290/4885
US-20080261918-A1 Silicon Compounds and Their Use SOST, SIK2, SCLY SLC6A1 1896/4885GABRA5 3935/4885GABRB2 3237/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 SLC6A1 3327/4885GABRA5 4389/4885GABRB2 3853/4885

“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.