SCHEMBL4795587

SCHEMBL4795587

CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NC3CC3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
RBP4 P02753 3/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX1 P07099 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.40
PIP5K1C O60331 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
PARP1 P09874 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
MAPT P10636 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
SCHEMBL22482203 0.88 CDK5 (0.44) NPC1RAB9AL3MBTL1RBP4GAA
SCHEMBL29386147 0.86 RBP4 (0.42) RBP4GAAPARP1MAPK1
SCHEMBL5465401 0.84 KDM4E (0.47) NPC1RAB9ARBP4GAACDK5
SCHEMBL14520683 0.83 ESR2 (0.41) RBP4PARP1MAPK1
SCHEMBL4792110 0.83 ADORA1 (0.46) RBP4KMT2AMAPK1
SCHEMBL4870401 0.83 NPC1 (0.55) NPC1RAB9ARBP4PIP5K1C
SCHEMBL25430237 0.82 ADORA1 (0.43) RBP4PARP1MAPTMAPK1
SCHEMBL22482006 0.81 RBP4 (0.41) NPC1RAB9ARBP4GAACDK5
SCHEMBL17870544 0.81 RBP4 (0.40) L3MBTL1RBP4GAACDK5CDK5R1
SCHEMBL17878107 0.81 MAPK1 (0.42) RBP4PARP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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 (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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A NPC1 1992/4885RAB9A 440/4885L3MBTL1 4590/4885
US-20070287707-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A NPC1 2050/4885RAB9A 593/4885L3MBTL1 4508/4885

“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.