SCHEMBL4913530

SCHEMBL4913530

Nc1c2c(nc3c(-c4cc(Cl)ccc4Cl)cccc13)CN(C1CCC1)C2=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ CRHR1 P34998 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CNR2 P34972 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
SCHEMBL2660942 0.96 MAPK1 (0.35) CNR1GRM5CRHR1ACHEHTR2A
SCHEMBL2656669 0.88 GABRG2 (0.41) CNR1CRHR1MAPTHTR2AHTR2C
SCHEMBL2658404 0.84 GABRG2 (0.39) CNR1POLB
SCHEMBL2661253 0.84 NPY1R (0.40) CNR1CRHR1HTR2AHTR2CKDM4E
SCHEMBL2660877 0.82 MAPK1 (0.43) GRM5MAPTKDM4EPOLBPARP1
SCHEMBL2661112 0.82 BMPR1A (0.32) CNR1GRM5CRHR1ACHEMAPT
SCHEMBL2656099 0.81 PARP1 (0.35) GRM5MAPTPOLBPARP1HTT
SCHEMBL4920996 0.80 MAPK1 (0.37) GRM5MAPTPOLBPARP1HTT
SCHEMBL2660594 0.80 NPY1R (0.38) ACHEMAPTPOLB
SCHEMBL2669396 0.80 PARP1 (0.35) GRM5POLBPARP1HTTESR2

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 2 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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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 CNR1 443/4885GRM5 222/4885CRHR1 60/4885

“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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