SCHEMBL5769158

SCHEMBL5769158

CC(C)(C)OC(=O)N1CC2CCC(C1)c1cc(I)ccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
PDE4B Q07343 4/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
USP30 Q70CQ3 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL4404247 0.92 KDM4E (0.56) KDM4EPDE4BMAPTTHRBGPR119
SCHEMBL5769083 0.81 GPR119 (0.49) KDM4EMAPTGPR119
SCHEMBL29051731 0.76 KDM4E (0.53) KDM4EPDE4BMAPTTHRBGPR119
SCHEMBL17037848 0.76 CHRM2 (0.40) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL4414698 0.75 CHRNA1 (0.53) KDM4EPDE4BMAPTTHRBGPR119
SCHEMBL17376133 0.75 PDE4B (0.51) KDM4EPDE4BMAPTTHRBGPR119
SCHEMBL4891329 0.75 ESR2 (0.47) KDM4EPDE4BMAPTTHRBGPR119
SCHEMBL25191447 0.75 STS (0.44) KDM4EPDE4BGPR119
SCHEMBL17398401 0.74 KDM4E (0.53) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL9884519 0.74 NR1H2 (0.49) KDM4EPDE4BMAPTTHRBGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020616-A1 Aryl fused azapolycyclic compounds PFIZER INC 2005-01-27 US claimed
EP-1648872-A2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2006-04-26 EP disclosed
WO-2005007630-A2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-01-27 WO disclosed
US-20050020616-A1 Aryl fused azapolycyclic compounds PFIZER INC 2005-01-27 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-20050020616-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B KDM4E 783/4885PDE4B 1032/4885MAPT 424/4885

“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.