SCHEMBL3924909

SCHEMBL3924909

CN(C)C1(c2ccc3c(c2)OCO3)CCC(=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.49
SLC6A4 P31645 8/20 0.49
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
HPGD P15428 1/20 0.39
SLC6A2 P23975 1/20 0.38
CMA1 P23946 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP13 P45452 1/20 0.37
CFTR P13569 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL7299582 0.80 SLC6A3 (0.50) SLC6A3SLC6A4OPRM1OPRL1HPGD
SCHEMBL8925778 0.79 SLC6A3 (0.43) SLC6A3SLC6A4CMA1GAAMAPK1
SCHEMBL613966 0.78 SLC6A3 (0.48) SLC6A3SLC6A4CMA1GAAMAPK1
SCHEMBL615620 0.78 GAA (0.53) SLC6A3SLC6A4GAAMAPK1HTT
SCHEMBL3934115 0.78 SLC6A3 (0.48) SLC6A3SLC6A4OPRM1OPRL1HPGD
Hydrochloric Acid SCHEMBL4257944 0.77 SLC6A3 (0.47) SLC6A3SLC6A4OPRM1OPRL1HPGD
SCHEMBL8925731 0.75 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2HTTSCN9A
SCHEMBL11093629 0.73 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL5164447 0.72 SLC6A4 (0.47) SLC6A3SLC6A4OPRM1OPRL1SLC6A2
SCHEMBL11078629 0.72 OPRL1 (0.51) OPRM1OPRL1

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-2041142-B1 SPIROCYCLIC AZAINDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
US-8399503-B2 Spirocyclic azaindole derivatives GRUENENTHAL GMBH (DE) 2013-03-19 US disclosed
US-20090156593-A1 Spirocyclic Azaindole Derivatives GRUNENTHAL GMBH (DE) 2009-06-18 US disclosed
EP-2041142-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-04-01 EP disclosed
WO-2008009416-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2008-01-24 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-20090156593-A1 Spirocyclic Azaindole Derivatives AZI2, TPMT, AADAC SLC6A3 618/4885SLC6A4 274/4885OPRM1 1869/4885

“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.