SCHEMBL5432016

SCHEMBL5432016

CC(C)NC1(C(N)=O)CCN(c2nccc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.45
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CNR2 P34972 5/20 0.41

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
SCHEMBL5405586 0.92 CNR2 (0.49) CNR1CNR2
SCHEMBL5377317 0.89 CNR1 (0.42) CNR1ALDH1A1CYP2D6CNR2
SCHEMBL5409614 0.89 CNR1 (0.48) CNR1ALDH1A1CYP2D6CNR2
SCHEMBL5399599 0.84 CNR1 (0.47) CNR1CNR2
SCHEMBL5372895 0.83 CNR1 (0.41) CNR1ALDH1A1CYP2D6CNR2
SCHEMBL5422248 0.82 CNR1 (0.47) CNR1CNR2
SCHEMBL5399589 0.81 CNR1 (0.64) CNR1CNR2
SCHEMBL5405535 0.80 CNR1 (0.49) CNR1CNR2
SCHEMBL5373810 0.78 CNR1 (0.52) CNR1CNR2
SCHEMBL5402027 0.77 CNR1 (0.60) 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-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US claimed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US claimed

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 CNR1 1/4885ALDH1A1 1683/4885CYP2D6 1363/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 CNR1 1/4885ALDH1A1 1926/4885CYP2D6 1404/4885

“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.