SCHEMBL1138352

SCHEMBL1138352

COc1ccc([C@H]2CNC(=O)C23CCN(C2CCCCC2c2ccc(C)cc2)CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 1.00
SLC6A5 Q9Y345 8/20 0.69
OPRM1 P35372 7/20 0.69
KCNH2 Q12809 1/20 0.69

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
SCHEMBL1138351 1.00 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1KCNH2
SCHEMBL5641349 0.91 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1KCNH2
SCHEMBL5641352 0.91 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1KCNH2
SCHEMBL1138391 0.89 SLC6A9 (0.87) SLC6A9SLC6A5OPRM1KCNH2
SCHEMBL1138387 0.89 SLC6A9 (0.87) SLC6A9SLC6A5OPRM1KCNH2
SCHEMBL1138308 0.88 SLC6A9 (0.90) SLC6A9SLC6A5OPRM1KCNH2
SCHEMBL1138310 0.88 SLC6A9 (0.90) SLC6A9SLC6A5OPRM1KCNH2
SCHEMBL1138097 0.83 SLC6A9 (0.82) SLC6A9SLC6A5OPRM1KCNH2
SCHEMBL1138095 0.83 SLC6A9 (0.82) SLC6A9SLC6A5OPRM1KCNH2
SCHEMBL1138339 0.82 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720873-B1 DIAZA-SPIROPIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
US-7173133-B2 Diaza-spiropiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20050154001-A1 Diaza-spiropiperidine derivatives HOFFMANN-LA ROCHE INC. 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-20050154001-A1 Diaza-spiropiperidine derivatives HCN3, SCN3A, SLC6A3 SLC6A9 1014/4885SLC6A5 678/4885OPRM1 656/4885

“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.