SCHEMBL2661116

SCHEMBL2661116

COc1ccc(CN2Cc3nc4c(-c5cc(C)ccc5OC)cccc4c(N)c3C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 13/20 0.42
▸ GABRB3 P28472 13/20 0.42
▸ GABRA2 P47869 13/20 0.42
▸ PDE5A O76074 2/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 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
SCHEMBL2661248 0.94 GABRG2 (0.45) GABRG2GABRB3GABRA2PDE5AGABRA1
SCHEMBL2661817 0.92 GABRG2 (0.43) GABRG2GABRB3GABRA2PDE5AALDH1A1
SCHEMBL2661185 0.91 GABRG2 (0.39) GABRG2GABRB3GABRA2PDE5AGABRA1
SCHEMBL2658867 0.89 MEN1 (0.45) GABRG2GABRB3GABRA2PDE5AGABRA1
SCHEMBL2661222 0.89 CRHR1 (0.42) GABRG2GABRB3GABRA2PDE5AGABRA1
SCHEMBL2660902 0.88 GABRG2 (0.45) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL4922136 0.88 GABRG2 (0.48) GABRG2GABRB3GABRA2PDE5AGABRA1
SCHEMBL2662287 0.87 ALDH1A1 (0.41) GABRG2GABRB3GABRA2PDE5AALDH1A1
SCHEMBL2661373 0.87 GABRG2 (0.43) GABRG2GABRB3GABRA2PDE5AGABRA1
SCHEMBL2661358 0.87 PDE5A (0.40) PDE5AKDM4EALDH1A1ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO 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
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 GABRG2 592/4885GABRB3 332/4885GABRA2 218/4885

“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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