SCHEMBL347439

SCHEMBL347439

CCCCN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
CYP2D6 P10635 1/20 0.43
GPR119 Q8TDV5 6/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR5 P51681 3/20 0.42
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL10263386 0.91 CYP2D6 (0.46) TLR8CYP2D6GPR119USP2SMN1; SMN2
SCHEMBL345594 0.88 CCR5 (0.41) TLR8CYP2D6GPR119DRD2DRD3
SCHEMBL30234012 0.87 GPR119 (0.43) TLR8CYP2D6GPR119USP2SMN1; SMN2
SCHEMBL4543892 0.86 TLR8 (0.55) TLR8USP2SMN1; SMN2CNR2
SCHEMBL20353659 0.85 CYP2D6 (0.48) CYP2D6GPR119USP2SMN1; SMN2
SCHEMBL25028575 0.85 CYP2D6 (0.44) TLR8CYP2D6GPR119DRD2USP2
SCHEMBL30772318 0.84 CYP2D6 (0.44) CYP2D6GPR119USP2SMN1; SMN2CCR5
SCHEMBL30049604 0.84 CYP2D6 (0.44) CYP2D6GPR119USP2SMN1; SMN2CCR5
SCHEMBL10263110 0.83 USP2 (0.43) CYP2D6GPR119USP2SMN1; SMN2
SCHEMBL10264330 0.83 CYP11B2 (0.46) CYP2D6GPR119USP2SMN1; SMN2CCR5

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
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 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 (3 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TLR8 3990/4885CYP2D6 644/4885GPR119 4318/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TLR8 3990/4885CYP2D6 644/4885GPR119 4318/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TLR8 3990/4885CYP2D6 644/4885GPR119 4318/4885

“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.