SCHEMBL346048

SCHEMBL346048

CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.O=C(O)N1CCC2(CC1)CCN(C1CC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.39
HRH3 Q9Y5N1 3/20 0.39
CYP1A2 P05177 1/20 0.39
L3MBTL3 Q96JM7 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL27162932 0.90 GPR119 (0.43) GPR119HRH3HPGDUSP2SMN1; SMN2
SCHEMBL346826 0.87 HPGD (0.47) GPR119HRH3HPGDUSP2SMN1; SMN2
SCHEMBL2870337 0.87 L3MBTL3 (0.44) GPR119HRH3CYP1A2L3MBTL3L3MBTL1
SCHEMBL118654 0.84 CYP1A2 (0.50) GPR119CYP1A2USP2SMN1; SMN2
SCHEMBL346049 0.84 GPR119 (0.36) GPR119HRH3CYP1A2L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL2075849 0.83 CYP1A2 (0.49) GPR119CYP1A2USP2SMN1; SMN2
SCHEMBL29976531 0.82 ITGB3 (0.42) HRH3CYP1A2L3MBTL3L3MBTL1
SCHEMBL22565580 0.81 ACACB (0.42) HRH3L3MBTL3L3MBTL1HPGDUSP2
SCHEMBL30135841 0.81 HPGD (0.45) GPR119HRH3HPGDUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL15571773 0.81 CYP1A2 (0.44) GPR119CYP1A2USP2SMN1; SMN2

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 4003/4885CYP1A2 638/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP GPR119 4318/4885HRH3 4003/4885CYP1A2 638/4885

“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.