SCHEMBL3306850

SCHEMBL3306850

O=C1NC2(CCCCC2)N=C1c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
POLB P06746 1/20 0.70
NEK2 P51955 10/20 0.64
AURKA O14965 1/20 0.64
CDK1 P06493 1/20 0.64
PLK1 P53350 1/20 0.64
NEK7 Q8TDX7 1/20 0.64
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3576095 0.98 POLB (0.72) TSHRPOLBNEK2AURKACDK1
SCHEMBL24326768 0.86 NEK2 (0.62) TSHRPOLBNEK2AURKACDK1
SCHEMBL13059638 0.84 TSHR (0.72) TSHRPOLBNEK2AURKACDK1
SCHEMBL4598371 0.84 TSHR (0.72) TSHRPOLBNEK2AURKACDK1
SCHEMBL951124 0.84 TSHR (0.72) TSHRPOLBNEK2AURKACDK1
SCHEMBL2517729 0.84 TSHR (1.00) TSHRPOLBNEK2AURKACDK1
SCHEMBL13272812 0.84 TSHR (1.00) TSHRPOLBNEK2AURKACDK1
SCHEMBL3651706 0.83 POLB (0.53) TSHRPOLBNEK2AURKACDK1
SCHEMBL12911751 0.83 POLB (0.72) TSHRPOLBNEK2AURKACDK1
SCHEMBL8085658 0.83 POLB (0.72) TSHRPOLBNEK2AURKACDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317704-A1 SPIRO-CONDENSED IMIDAZOLONE DERIVATIVES INHIBITING THE GLYCINE TRANSPORTER Glaxo Group Limited a corporation 2010-12-16 US disclosed
US-20100317704-A1 SPIRO-CONDENSED IMIDAZOLONE DERIVATIVES INHIBITING THE GLYCINE TRANSPORTER Glaxo Group Limited a corporation 2010-12-16 US disclosed
US-20100317704-A1 SPIRO-CONDENSED IMIDAZOLONE DERIVATIVES INHIBITING THE GLYCINE TRANSPORTER Glaxo Group Limited a corporation 2010-12-16 US disclosed
EP-2197852-A1 SPIRO-CONDENSED IMIDAZOLONE DERIVATIVES INHIBITING THE GLYCINE TRANSPORTER Glaxo Group Limited (GB) 2010-06-23 EP disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
US-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-2027098-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO (4.5)DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS Glaxo Group Limited (GB) 2009-02-25 EP disclosed
EP-1994010-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2008-11-26 EP disclosed
WO-2008092872-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092872-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2007116061-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
WO-2007116061-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 WO disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 WO 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 (4 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-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 TSHR 3004/4885POLB 3879/4885NEK2 3706/4885
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC6A5, SLC6A2 TSHR 1553/4885POLB 4461/4885NEK2 4039/4885
US-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS SLC1A1, SLC1A5, SLC6A5 TSHR 1586/4885POLB 3454/4885NEK2 3028/4885
US-20100317704-A1 SPIRO-CONDENSED IMIDAZOLONE DERIVATIVES INHIBITING THE GLYCINE TRANSPORTER SLC6A5, SLC6A7, SLC6A3 TSHR 4126/4885POLB 4038/4885NEK2 854/4885

“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.