SCHEMBL5405469

SCHEMBL5405469

O=C(N1CCOCC1)C1(c2ccccc2)CCN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 16/20 0.45
CNR2 P34972 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
AKT1 P31749 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5399539 0.84 CNR1 (0.49) CNR1CNR2
SCHEMBL5404879 0.82 CNR1 (0.54) ALDH1A1CNR1CNR2KDM4EMAPT
SCHEMBL5409739 0.79 CNR1 (0.46) ALDH1A1CNR1CNR2KDM4EMAPT
SCHEMBL5399575 0.79 CNR1 (0.48) ALDH1A1CNR1SMN1; SMN2KDM4EMAPT
SCHEMBL5413093 0.78 CNR1 (0.49) CNR1CNR2
SCHEMBL5413117 0.78 CNR1 (0.55) CNR1CNR2
SCHEMBL5405388 0.76 CNR1 (0.61) CNR1CNR2
SCHEMBL5405352 0.76 CNR1 (0.52) CNR1CNR2
SCHEMBL5402014 0.76 CNR1 (0.52) CNR1CNR2
SCHEMBL5423362 0.76 CNR1 (0.62) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US claimed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US claimed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 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 (2 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-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 ALDH1A1 1683/4885CNR1 1/4885CNR2 2/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 ALDH1A1 1926/4885CNR1 1/4885CNR2 2/4885

“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.