SCHEMBL5556903

SCHEMBL5556903

O=C1NC[C@H](c2ccc(F)cc2)C12CCNCC2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.58
OPRM1 P35372 6/20 0.58
SLC6A5 Q9Y345 3/20 0.58
KCNH2 Q12809 1/20 0.58
PLD2 O14939 2/20 0.52
PLD1 Q13393 2/20 0.52

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
SCHEMBL5561878 1.00 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2PLD2
SCHEMBL1138347 1.00 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2PLD2
Hydrochloric Acid SCHEMBL5562493 0.98 SLC6A9 (0.57) SLC6A9OPRM1SLC6A5KCNH2PLD2
SCHEMBL5556904 0.85 SLC6A9 (0.55) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL1138335 0.84 SLC6A9 (0.56) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL5557035 0.84 SLC6A9 (0.56) SLC6A9OPRM1SLC6A5KCNH2PLD2
SCHEMBL5562193 0.81 SLC6A9 (0.56) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL4339185 0.81 SLC6A9 (0.42) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL2930609 0.78 SLC6A9 (0.61) SLC6A9OPRM1SLC6A5KCNH2PLD2
SCHEMBL9963429 0.78 SLC6A9 (0.68) SLC6A9OPRM1SLC6A5KCNH2PLD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456307-B1 ISOFORM SELECTIVE PHOSPHOLIPASE D INHIBITORS UNIV VANDERBILT (US) 2016-11-02 EP disclosed
EP-2456307-B1 ISOFORM SELECTIVE PHOSPHOLIPASE D INHIBITORS UNIV VANDERBILT (US) 2016-11-02 EP disclosed
US-9127005-B2 Isoform selective phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2015-09-08 US disclosed
US-9127005-B2 Isoform selective phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2015-09-08 US disclosed
US-20120214832-A1 ISOFORM SELECTIVE PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY 2012-08-23 US disclosed
EP-2456307-A1 ISOFORM SELECTIVE PHOSPHOLIPASE D INHIBITORS Vanderbilt University (US) 2012-05-30 EP disclosed
WO-2011011680-A1 ISOFORM SELECTIVE PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY (US) 2011-01-27 WO disclosed
EP-1716147-B1 DIAZA-SPIROPIPERIDINE DERIVATIVES AS INHIBITORS OF GLYCINE TRANSPORTER 1 AND GLYCINE TRANSPORTER 2 HOFFMANN LA ROCHE (CH) 2007-11-14 EP disclosed
US-7265126-B2 Diaza-spiropiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1716147-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES AS INHIBITORS OF GLYCINE TRANSPORTER 1 AND GLYCINE TRANSPORTER 2 F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 EP disclosed
WO-2005068462-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES AS INHIBITORS OF TRANSPORTER 1 AND GLYCINE TRANSPORTER 2 F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 WO disclosed
US-20050154000-A1 Diaza-spiropiperidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-07-14 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 (2 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-20120214832-A1 ISOFORM SELECTIVE PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PLA2G2D SLC6A9 3344/4885OPRM1 3250/4885SLC6A5 3525/4885
US-20050154000-A1 Diaza-spiropiperidine derivatives AVPR1A, AVPR1B, QDPR SLC6A9 1752/4885OPRM1 1974/4885SLC6A5 1144/4885

“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.