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SCHEMBL2661378

SCHEMBL2661378

COc1cccc(C#N)c1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NPY1R P25929 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ABL1 P00519 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
SCHEMBL2661444 0.96 NPY1R (0.39) DPP4CYP3A4NPY1RNPY5RKDM4E
SCHEMBL2660106 0.89 KDM4E (0.39) DPP4CYP3A4NPY1RNPY5RKDM4E
SCHEMBL27807922 0.89 NPY1R (0.33) DPP4CYP3A4NPY1RNPY5RKDM4E
SCHEMBL8109335 0.88 NPY1R (0.39) NPY1RNPY5RKDM4EHRH3KCNH2
SCHEMBL2660594 0.87 NPY1R (0.38) NPY1RNPY5RHRH3KCNH2LMNA
SCHEMBL2669423 0.87 GABRG2 (0.43) NPY1RNPY5RHRH3KCNH2LMNA
SCHEMBL2669426 0.86 NPY1R (0.40) CYP3A4NPY1RNPY5RALDH1A1HRH3
SCHEMBL4916106 0.86 NPY1R (0.42) CYP3A4NPY1RNPY5RKDM4EALDH1A1
SCHEMBL2661561 0.86 CDK4 (0.37) DPP4CYP3A4KDM4EALDH1A1LMNA
SCHEMBL2660932 0.85 GABRA1 (0.43) NPY1RNPY5RLMNATP53MAPT

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 10 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

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 DPP4 1427/4885CYP3A4 304/4885NPY1R 126/4885

“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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