SCHEMBL3230630

SCHEMBL3230630

[2H]C1CCCC1(C#N)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3042550 0.84 PDE4A (0.43) PDE4AALDH1A1
SCHEMBL5069379 0.81 PDE4A (0.46) PDE4AALDH1A1
SCHEMBL2565999 0.81 PDE4A (0.46) PDE4AALDH1A1
SCHEMBL1348404 0.79
SCHEMBL18884432 0.65
SCHEMBL24230139 0.65 PDE4A (0.35) PDE4AALDH1A1
SCHEMBL3331157 0.64 MEN1 (0.36)
SCHEMBL3057008 0.64
SCHEMBL16233238 0.64 PDE4A (0.30) PDE4A
SCHEMBL2229070 0.64 PDE4A (0.33) PDE4AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED 2010-06-03 US disclosed
EP-1833811-B1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LTD (GB) 2010-06-02 EP disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090227629-A1 COMPOUNDS HAVING ACTIVITY AT THE GLYCINE TRANSPORTER GLYT1 AND USES THEREOF GLAXO GROUP LIMITED 2009-09-10 US disclosed
EP-2013173-A2 PYRIDINE-, ISOXAZOLE, THIOPHENECARBOXAMIDE COMPOUNDS HAVING ACTIVITY AT THE GLYCINE TRANSPORTER GLYT1 AND USES THEREOF GLAXO GROUP LIMITED (GB) 2009-01-14 EP disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
WO-2007147834-A1 GLYCINE TRANSPORTER INHIBITING COMPOUNDS AND USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
WO-2007147836-A1 GLYCINE TRANSPORTER INHIBITING COMPOUNDS AND USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
EP-1846375-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
EP-1841727-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-10 EP disclosed
EP-1833811-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-09-19 EP disclosed
WO-2007080159-A2 PYRIDINE-, ISOXAZOLE, THIOPHENECARBOXAMIDE COMPOUNDS HAVING ACTIVITY AT THE GLYCINE TRANSPORTER GLYT1 AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-07-19 WO disclosed
WO-2006067430-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067437-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES PNMT, SLC18A2, COMT PDE4A 345/4885ALDH1A1 132/4885
US-20090227629-A1 COMPOUNDS HAVING ACTIVITY AT THE GLYCINE TRANSPORTER GLYT1 AND USES THEREOF SLC18A2, SLC6A3, SLC6A2 PDE4A 2331/4885ALDH1A1 777/4885
US-20100137428-A1 OXYGEN CONTAINING HETEROCYCLES AS GLYCINE TRANSPORTER INHIBITING COMPOUNDS SLC18A2, SLC1A2, SLC6A3 PDE4A 2323/4885ALDH1A1 483/4885
US-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 PDE4A 2387/4885ALDH1A1 1356/4885

“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.