SCHEMBL2669417

SCHEMBL2669417

COc1cccc(F)c1-c1cccc2c(N)c3c(nc12)CN([C@H]1C[C@@H](C)C1)C3=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ RPS6KA2 Q15349 8/20 0.41
▸ MAPK1 P28482 1/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL4925266 1.00 GABRG2 (0.43) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2656175 1.00 GABRG2 (0.43) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2661690 0.93 GABRA1 (0.44) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2669423 0.91 GABRG2 (0.43) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2660932 0.91 GABRA1 (0.43) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2655674 0.85 GABRA1 (0.46) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2657286 0.84 GABRA1 (0.44) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2661051 0.84 MAPK1 (0.38) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2657321 0.83 NPY1R (0.40) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2662522 0.82 MAPK1 (0.48) GABRG2GABRB3GABRA2GABRA1GABRA5

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-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

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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