SCHEMBL2661489

SCHEMBL2661489

COc1ccc(F)cc1-c1cccc2c(N)c3c(nc12)CN(C1CC1)C3=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ GABRG2 P18507 7/20 0.39
▸ GABRB3 P28472 7/20 0.39
▸ GABRA2 P47869 7/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ CREBBP Q92793 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.34
▸ UGCG Q16739 1/20 0.34

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
SCHEMBL2669504 0.96 GABRG2 (0.41) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2660844 0.93 NPY1R (0.41) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2657321 0.91 NPY1R (0.40) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL4922297 0.91 NPY1R (0.43) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL4912799 0.90 GABRG2 (0.49) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2662080 0.90 GABRG2 (0.43) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL4919174 0.89 NPY1R (0.40) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2661253 0.89 NPY1R (0.40) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL2661337 0.88 PDE4A (0.42) DPP4MAPK1PDE4A
SCHEMBL4916018 0.87 GABRG2 (0.43) NPY1RNPY5RGABRG2GABRB3GABRA2

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 NPY1R 126/4885NPY5R 104/4885GABRG2 592/4885

“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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