SCHEMBL2660942

SCHEMBL2660942

Nc1c2c(nc3c(-c4cc(Cl)ccc4Cl)cccc13)CN(C1CC1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.35
▸ CRHR1 P34998 2/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ DGAT1 O75907 1/20 0.32

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
SCHEMBL4913530 0.96 CNR1 (0.36) CRHR1KDM4EHTR2AHTR2CCNR1
SCHEMBL2661253 0.88 NPY1R (0.40) CRHR1KDM4EHTR2AHTR2CCNR1
SCHEMBL2658404 0.88 GABRG2 (0.39) PDE4ACNR1
SCHEMBL2656669 0.84 GABRG2 (0.41) CRHR1HTR2AHTR2CCNR1
SCHEMBL2661337 0.82 PDE4A (0.42) MAPK1PDE4ADPP4
SCHEMBL2669595 0.81 MAPK1 (0.47) MAPK1PDE4APTPN11GRM5
SCHEMBL2661944 0.81 MAPK1 (0.47) MAPK1PDE4APTPN11GRM5DGAT1
SCHEMBL2662121 0.81 MAPK1 (0.34) MAPK1CRHR1ACHEGRM5
SCHEMBL2661432 0.81 MAPK1 (0.34) MAPK1ACHEGRM5
SCHEMBL4913543 0.81 CRHR1 (0.33) CRHR1KDM4EDPP4DPP8ACHE

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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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
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 MAPK1 3191/4885CRHR1 60/4885PDE4A 639/4885

“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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