SCHEMBL346049

SCHEMBL346049

CC(C)(C)OC(=O)N1CCC2(CCN(C3CC3)CC2)C(OC(=O)N2CCC3(CCNCC3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.36
HRH3 Q9Y5N1 4/20 0.35
L3MBTL3 Q96JM7 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.33
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL346048 0.84 GPR119 (0.39) GPR119HRH3L3MBTL3L3MBTL1CYP1A2
SCHEMBL27162932 0.83 GPR119 (0.43) GPR119HRH3HPGDDDB1CRBN
SCHEMBL345595 0.82 CCR5 (0.35) GPR119CYP1A2
SCHEMBL346826 0.81 HPGD (0.47) GPR119HRH3HPGDKDM4EMAPT
SCHEMBL2870337 0.80 L3MBTL3 (0.44) GPR119HRH3L3MBTL3L3MBTL1CYP1A2
SCHEMBL118654 0.78 CYP1A2 (0.50) GPR119CYP1A2
Hydrochloric Acid SCHEMBL2075849 0.77 CYP1A2 (0.49) GPR119CYP1A2
SCHEMBL1707960 0.76 GPR119 (0.34) GPR119HRH3DDB1CRBNKDM4E
SCHEMBL30135841 0.75 HPGD (0.45) GPR119HRH3HPGDDDB1CRBN
SCHEMBL22565580 0.75 ACACB (0.42) HRH3L3MBTL3L3MBTL1HPGDRECQL

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP GPR119 4318/4885HRH3 4003/4885L3MBTL3 4885/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP GPR119 4318/4885HRH3 4003/4885L3MBTL3 4885/4885

“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.