SCHEMBL2661319

SCHEMBL2661319

COc1cccc(Cl)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
▸ HSP90AA1 P07900 2/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ TNF P01375 1/20 0.35
▸ LITAF Q99732 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ACHE P22303 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SCN1A P35498 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 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
SCHEMBL2660594 0.96 NPY1R (0.38) NPY1RNPY5RHSP90AA1HSP90AB1TNF
SCHEMBL2661690 0.89 GABRA1 (0.44) NPY1RNPY5RMAPK1HTR2BGABRA1
SCHEMBL4922297 0.88 NPY1R (0.43) NPY1RNPY5RPTPN11MAPTTP53
SCHEMBL8109335 0.87 NPY1R (0.39) NPY1RNPY5RTNFLITAFMAPT
SCHEMBL2657321 0.87 NPY1R (0.40) NPY1RNPY5RMAPK1HTR2BGABRA1
SCHEMBL2662167 0.86 HSP90AA1 (0.34) NPY1RNPY5RHSP90AA1HSP90AB1TNF
SCHEMBL2661444 0.86 NPY1R (0.39) NPY1RNPY5RMAPTKMT2AMAPK1
SCHEMBL2660932 0.85 GABRA1 (0.43) NPY1RNPY5RTNFLITAFMAPT
SCHEMBL2669423 0.85 GABRG2 (0.43) NPY1RNPY5RTNFLITAFMAPT
SCHEMBL2661253 0.85 NPY1R (0.40) NPY1RNPY5RKMT2AGABRG2GABRB3

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 104/4885HSP90AA1 4097/4885

“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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