SCHEMBL951763

SCHEMBL951763

[2H]C1CCCC2(N=C(c3ccc(Cl)cc3)C(=O)N2[2H])C1([2H])[2H]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.43
NEK2 P51955 4/20 0.41
RAB9A P51151 2/20 0.35
TDP2 O95551 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.32
PLK1 P53350 1/20 0.32
NEK7 Q8TDX7 1/20 0.32
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31

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
SCHEMBL4599178 0.90 POLB (0.46) POLBTSHRRECQLNEK2RAB9A
SCHEMBL4599160 0.85 RAB9A (0.46) POLBTSHRRECQLNEK2RAB9A
SCHEMBL4229154 0.84 POLB (0.46) POLBTSHRNEK2RAB9ATDP2
SCHEMBL3839179 0.80 RECQL (0.41) POLBTSHRRECQLNEK2TDP2
SCHEMBL4514851 0.78 POLB (0.72) POLBTSHRRECQLNEK2RAB9A
SCHEMBL951124 0.76 TSHR (0.72) POLBTSHRRECQLNEK2RAB9A
SCHEMBL4443465 0.71 POLB (0.51) POLBTSHRNEK2RAB9ATDP2
SCHEMBL3616164 0.70 MEN1 (0.39) RECQLNEK2KMT2A
SCHEMBL4507443 0.69 MEN1 (0.40) RECQLNEK2KMT2ASMN1; SMN2
SCHEMBL4655140 0.68 POLB (0.48) POLBTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 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-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
EP-2121625-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP 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-2004612-A1 N-PHENYL-2-0X0-1,4-DIAZASPIR0 [4.5]DEC-3-EN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
WO-2008092879-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-2007104776-A1 N-PHENYL-2-0X0-1,4-DIAZASPIR0 [4.5] DEC-3-EN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS 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 (3 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-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 POLB 3454/4885TSHR 1586/4885RECQL 522/4885
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC6A3 POLB 3592/4885TSHR 4552/4885RECQL 1196/4885
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC1A2, SLC1A1 POLB 4489/4885TSHR 1437/4885RECQL 512/4885

“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.