SCHEMBL2662287

SCHEMBL2662287

COc1ccc(C)cc1-c1cccc2c(N)c3c(nc12)CN(Cc1ccc2c(c1)OCO2)C3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PDE5A O76074 2/20 0.39
▸ TSHR P16473 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ USP2 O75604 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 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
SCHEMBL2660746 0.92 MAPT (0.46) ALDH1A1GABRG2GABRB3GABRA2TDP1
SCHEMBL2661817 0.90 GABRG2 (0.43) ALDH1A1GABRG2GABRB3GABRA2MAPT
SCHEMBL2661227 0.89 GABRG2 (0.41) ALDH1A1GABRG2GABRB3GABRA2TDP1
SCHEMBL2661116 0.87 GABRG2 (0.42) ALDH1A1GABRG2GABRB3GABRA2PDE5A
SCHEMBL2661302 0.85 HPGD (0.44) ALDH1A1TDP1MAPTPDE5ATSHR
SCHEMBL4922136 0.83 GABRG2 (0.48) GABRG2GABRB3GABRA2PDE5ATSHR
SCHEMBL2661645 0.83 GABRG2 (0.42) ALDH1A1GABRG2GABRB3GABRA2TDP1
SCHEMBL2661536 0.82 GABRG2 (0.49) ALDH1A1GABRG2GABRB3GABRA2MAPT
SCHEMBL2658867 0.81 MEN1 (0.45) ALDH1A1GABRG2GABRB3GABRA2MAPT
SCHEMBL2661248 0.81 GABRG2 (0.45) ALDH1A1GABRG2GABRB3GABRA2PDE5A

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-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF ALDH1A1 442/4885GABRG2 592/4885GABRB3 332/4885

“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.

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