SCHEMBL4114147

SCHEMBL4114147

CC(C)(C)OC(=O)N1CCC(C2C(=O)Nc3ccc(N)cc32)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
NR1H2 P55055 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
LIPE Q05469 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GPR119 Q8TDV5 6/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
PDE4B Q07343 1/20 0.39
DDB1 Q16531 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
SCHEMBL2675831 0.84 TNKS (0.35) DDB1CRBN
SCHEMBL4677533 0.78 GPR119 (0.55) MAPTKDM4ETHRBGPR119MAPK1
SCHEMBL14049713 0.78 ALDH1A1 (0.41) MAPTKDM4ETHRBHDAC1HDAC2
SCHEMBL2675756 0.75 HTR1D (0.41) KDM4ENR1H2DDB1CRBN
SCHEMBL12005791 0.75 NR1H2 (0.47) MAPTKDM4ETHRBNR1H2HDAC1
SCHEMBL12005792 0.75 NR1H2 (0.47) MAPTKDM4ETHRBNR1H2HDAC1
SCHEMBL3968317 0.75 TNKS (0.49) MAPTKDM4ETHRBGPR119
SCHEMBL105541 0.72 GPR119 (0.53) MAPTKDM4ETHRBGPR119MAPK1
SCHEMBL3969511 0.72 TNKS (0.46) MAPTKDM4ETHRBGPR119
SCHEMBL20242579 0.71 PDE4B (0.57) MAPTKDM4ETHRBNR1H2ALDH1A1

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-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 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 (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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 MAPT 1956/4885KDM4E 1823/4885THRB 3742/4885

“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.