SCHEMBL6770852

SCHEMBL6770852

CCCNCc1c(C(=O)OCC)nn(-c2ccccc2Cl)c1Oc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.48
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.39
ELANE P08246 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 5/20 0.38
CNR2 P34972 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6765770 0.94 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6769706 0.92 KMT2A (0.41) PDE4BMAPTKMT2AKDM4ECNR1
SCHEMBL6766983 0.90 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL5820495 0.87 CNR1 (0.45) CNR1CNR2
SCHEMBL6770731 0.87 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6770604 0.87 CNR1 (0.45) CNR1CNR2
SCHEMBL6777628 0.86 CNR2 (0.47) CNR1CNR2
SCHEMBL6769130 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6770373 0.85 CNR1 (0.51) CNR1CNR2HPGD
SCHEMBL6766497 0.84 CNR1 (0.47) CNR1CNR2

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-20040235926-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-11-25 US claimed
US-20040235926-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-11-25 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-20040235926-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 PDE4B 2564/4885PDE4A 2454/4885PDE4C 2921/4885

“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.