SCHEMBL4455586

SCHEMBL4455586

Cc1ccccc1-c1ccc(C2C(C)OC(=O)N2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
BRD4 O60885 1/20 0.34
GRM2 Q14416 3/20 0.34
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CETP P11597 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 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
SCHEMBL4448421 0.84 GRM2 (0.49) GRM2MEN1KMT2A
SCHEMBL4454827 0.84 ESR2 (0.39) BACE1BRD4MAOAMAOBMEN1
SCHEMBL9926818 0.80 TSHR (0.46) BRD4MAOAMEN1TSHRKMT2A
SCHEMBL4458127 0.75 GRM2 (0.38) BACE1GRM2MEN1TSHRKMT2A
SCHEMBL4447352 0.75 GRM2 (0.37) GRM2MEN1KMT2A
SCHEMBL4467712 0.74 GRM2 (0.45) BACE1GRM2MAOAMAOBMCL1
SCHEMBL4445385 0.74 PGR (0.40) GRM2MEN1TSHRKMT2A
SCHEMBL4455582 0.73 TNKS (0.39) BACE1CA12CA1CA2CA9
SCHEMBL4444398 0.73 PDE3B (0.38) CA12CA9GRM2CETPMEN1
SCHEMBL4453552 0.72 BRD4 (0.35) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 BACE1 2191/4885CA12 1179/4885CA1 2426/4885

“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.