SCHEMBL5380231

SCHEMBL5380231

CCNC1(C(N)=O)CCN(c2ccnc3c(I)c(-c4ccccc4Cl)nn23)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.56
CNR2 P34972 3/20 0.50
PTPN11 Q06124 5/20 0.35
GPR119 Q8TDV5 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL5379833 0.91 CNR1 (0.47) CNR1CNR2GPR119
SCHEMBL5390432 0.87 CNR1 (0.64) CNR1CNR2GPR119
SCHEMBL4838496 0.84 CNR1 (0.56) CNR1CNR2PTPN11HDAC3HDAC4
SCHEMBL5383708 0.78 CNR1 (0.55) CNR1CNR2GPR119
SCHEMBL4837396 0.77 CNR1 (0.47) CNR1CNR2
SCHEMBL25363792 0.76 CNR1 (0.63) CNR1CNR2
SCHEMBL5380298 0.75 CNR1 (0.49) CNR1CNR2PTPN11GPR119
SCHEMBL4841187 0.75 CNR1 (0.64) CNR1CNR2
SCHEMBL5380254 0.74 CNR1 (0.64) CNR1CNR2PTPN11GPR119
SCHEMBL4838215 0.73 CNR1 (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
EP-1594872-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2005-11-16 EP disclosed
WO-2004069838-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157838-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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-20040157838-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885PTPN11 1819/4885

“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.