SCHEMBL4185910

SCHEMBL4185910

C=CCN1CC2CCC1([C@H](N[S@+]([O-])C(C)(C)C)c1ccccc1)CC2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.36
SLC6A5 Q9Y345 1/20 0.36
OPRD1 P41143 1/20 0.35

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
SCHEMBL4185911 1.00 SLC6A9 (0.36) SLC6A9SLC6A5OPRD1
SCHEMBL4185907 1.00 SLC6A9 (0.36) SLC6A9SLC6A5OPRD1
SCHEMBL4186222 1.00 SLC6A9 (0.36) SLC6A9SLC6A5OPRD1
SCHEMBL4196090 1.00 SLC6A9 (0.36) SLC6A9SLC6A5OPRD1
SCHEMBL4196092 1.00 SLC6A9 (0.36) SLC6A9SLC6A5OPRD1
SCHEMBL3705038 0.89 SLC6A9 (0.39) SLC6A9
SCHEMBL3782491 0.83 SLC6A9 (0.48) SLC6A9
SCHEMBL3782500 0.83 SLC6A9 (0.48) SLC6A9
SCHEMBL3782488 0.83 SLC6A9 (0.48) SLC6A9
SCHEMBL8098119 0.82 OPRD1 (0.34) OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030033-A1 Novel Compounds 894 ASTRAZENECA AB (SE) 2009-01-29 US disclosed
WO-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 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 (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-20090030033-A1 Novel Compounds 894 AZI2, TPMT, AMPD2 SLC6A9 4382/4885SLC6A5 3965/4885OPRD1 3153/4885

“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.