SCHEMBL2661444

SCHEMBL2661444

COc1cccc(C#N)c1-c1cccc2c(N)c3c(nc12)CN(C1CC1)C3=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ DPP4 P27487 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ HTR2C P28335 3/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ MAPK1 P28482 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
SCHEMBL2661378 0.96 DPP4 (0.39) NPY1RNPY5RDPP4CYP3A4KDM4E
SCHEMBL2661690 0.86 GABRA1 (0.44) NPY1RNPY5RHTR2CHTR2AHTR2B
SCHEMBL2661319 0.86 NPY1R (0.39) NPY1RNPY5RALDH1A1MEN1MAPT
SCHEMBL4922297 0.86 NPY1R (0.43) NPY1RNPY5RDPP4KDM4EALDH1A1
SCHEMBL2661001 0.86 MAPK1 (0.38) NPY1RNPY5RDPP4CYP3A4KDM4E
SCHEMBL27807922 0.85 NPY1R (0.33) NPY1RNPY5RDPP4CYP3A4KDM4E
SCHEMBL2660106 0.85 KDM4E (0.39) NPY1RNPY5RDPP4CYP3A4KDM4E
SCHEMBL8109335 0.84 NPY1R (0.39) NPY1RNPY5RKDM4ELMNAMAPT
SCHEMBL2657321 0.84 NPY1R (0.40) NPY1RNPY5RHTR2CHTR2AHTR2B
SCHEMBL2660994 0.83 GABRA1 (0.36) DPP4CYP3A4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN claimed
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
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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
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
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 104/4885DPP4 1427/4885

“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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