SCHEMBL5556904

SCHEMBL5556904

Cc1ccc(C2CNC(=O)C23CCNCC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.55
OPRM1 P35372 8/20 0.52
SLC6A5 Q9Y345 4/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL6025251 0.90 SLC6A9 (0.48) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL5556903 0.85 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL1138347 0.85 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL1138335 0.84 SLC6A9 (0.56) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL4339185 0.84 SLC6A9 (0.42) SLC6A9OPRM1SLC6A5KCNH2
Hydrochloric Acid SCHEMBL5562493 0.84 SLC6A9 (0.57) SLC6A9OPRM1SLC6A5KCNH2
Hydrochloric Acid SCHEMBL14058339 0.83 SLC6A9 (0.51) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL5557035 0.81 SLC6A9 (0.56) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL12836059 0.79 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL6027718 0.74 SLC6A9 (0.50) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.