SCHEMBL2657321

SCHEMBL2657321

COc1cccc(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4=O)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HTR2B P41595 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ UGCG Q16739 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GNRHR P30968 5/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PTGIR P43119 2/20 0.33
▸ PTGDR Q13258 2/20 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
SCHEMBL4921068 0.96 NPY1R (0.39) NPY1RNPY5RMAPK1HTR2BHTR2A
SCHEMBL4922297 0.92 NPY1R (0.43) NPY1RNPY5RMAPK1GABRG2GABRB3
SCHEMBL2662193 0.91 MAPK1 (0.39) NPY1RNPY5RMAPK1GABRG2GABRB3
SCHEMBL2660844 0.91 NPY1R (0.41) NPY1RNPY5RMAPK1GABRG2GABRB3
SCHEMBL2661489 0.91 NPY1R (0.40) NPY1RNPY5RMAPK1GABRG2GABRB3
SCHEMBL2661690 0.90 GABRA1 (0.44) NPY1RNPY5RMAPK1HTR2BHTR2A
SCHEMBL2661365 0.89 NPY1R (0.40) NPY1RNPY5RMAPK1GABRG2GABRB3
SCHEMBL2669426 0.88 NPY1R (0.40) NPY1RNPY5RMAPK1HTR2BGABRG2
SCHEMBL4916106 0.88 NPY1R (0.42) NPY1RNPY5RHTR2BGABRG2GABRB3
SCHEMBL4919174 0.87 NPY1R (0.40) NPY1RNPY5RMAPK1GABRG2GABRB3

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
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
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

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 104/4885MAPK1 3191/4885

“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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