SCHEMBL4893882

SCHEMBL4893882

CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc(CC)n1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4883267 0.85 CYP19A1 (0.47) SMN1; SMN2HTTGABRA2GABRB2ALDH1A1
SCHEMBL4890821 0.81 ALDH1A1 (0.37) CNR2SMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL5050796 0.80 ALDH1A1 (0.41) SMN1; SMN2KDM4EHTTALDH1A1HPGD
SCHEMBL4576808 0.78 ALDH1A1 (0.41) CNR2SMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL4890027 0.75 ADORA3 (0.43) SMN1; SMN2HTTALDH1A1HPGDMAPT
SCHEMBL4576362 0.73 CYP19A1 (0.45) SMN1; SMN2HTTALDH1A1CYP1A2KMT2A
SCHEMBL4893070 0.72 ALDH1A1 (0.41) SMN1; SMN2KDM4EHTTALDH1A1CYP1A2
SCHEMBL13325193 0.70 MAPT (0.46) SMN1; SMN2KDM4EHTTGABRA2GABRB2
SCHEMBL13325160 0.70 MAPT (0.45) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL13325188 0.69 KDM4E (0.51) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US claimed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1968946-A1 IMIDAZOLES AS GABA-B RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-09-17 EP disclosed
WO-2007073299-A1 IMIDAZOLES AS GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2007073299-A1 IMIDAZOLES AS GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-06-28 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 (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-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators GABRB1, GABBR2, GABRB2 CNR2 92/4885SMN1; SMN2 1799/4885KDM4E 2544/4885

“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.