SCHEMBL5556587

SCHEMBL5556587

O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCCC1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 1.00
OPRM1 P35372 8/20 1.00
KCNH2 Q12809 1/20 1.00
OPRL1 P41146 1/20 0.75

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
SCHEMBL5557332 1.00 SLC6A9 (1.00) SLC6A9OPRM1KCNH2OPRL1
SCHEMBL5557340 1.00 SLC6A9 (1.00) SLC6A9OPRM1KCNH2OPRL1
SCHEMBL5562629 1.00 SLC6A9 (1.00) SLC6A9OPRM1KCNH2OPRL1
SCHEMBL5558260 0.95 SLC6A9 (1.00) SLC6A9OPRM1KCNH2OPRL1
SCHEMBL5564107 0.95 SLC6A9 (1.00) SLC6A9OPRM1KCNH2OPRL1
SCHEMBL5555537 0.95 SLC6A9 (0.90) SLC6A9OPRM1KCNH2OPRL1
SCHEMBL5562088 0.94 SLC6A9 (0.89) SLC6A9OPRM1KCNH2OPRL1
SCHEMBL5556790 0.93 SLC6A9 (1.00) SLC6A9OPRM1KCNH2OPRL1
SCHEMBL5562585 0.93 SLC6A9 (1.00) SLC6A9OPRM1KCNH2OPRL1
SCHEMBL5563588 0.92 SLC6A9 (0.84) SLC6A9OPRM1KCNH2OPRL1

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 11 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 claimed
US-7265126-B2 Diaza-spiropiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US claimed
JP-2007517815-A 2007-07-05 JP claimed
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 claimed
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 claimed
US-20050154000-A1 Diaza-spiropiperidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-07-14 US claimed
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 1974/4885KCNH2 125/4885

“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.