SCHEMBL2661842

SCHEMBL2661842

COc1ccc(C)cc1-c1c(F)ccc2c(N)c3c(nc12)CN(C1CC1)C3=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 9/20 0.42
▸ GABRB3 P28472 9/20 0.42
▸ GABRA2 P47869 9/20 0.42
▸ PIK3CA P42336 1/20 0.36
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ PDE4A P27815 3/20 0.35
▸ TP53 P04637 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL4916018 0.92 GABRG2 (0.43) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2655799 0.91 GABRG2 (0.52) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2669391 0.89 GABRG2 (0.44) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2669536 0.88 NPY1R (0.41) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL13991083 0.88 GABRG2 (0.44) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2661686 0.88 GABRG2 (0.53) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2661055 0.86 GABRG2 (0.38) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2655742 0.86 PDE4A (0.37) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2656082 0.86 GABRG2 (0.46) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2660960 0.85 PDE4A (0.41) GABRG2GABRB3GABRA2PIK3CANPY1R

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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