SCHEMBL4845268

SCHEMBL4845268

CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
SLC6A7 Q99884 1/20 0.34
MAP3K12 Q12852 2/20 0.34
CNR1 P21554 9/20 0.33
CNR2 P34972 7/20 0.33
NPC1 O15118 1/20 0.32
AKR1C3 P42330 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4833651 0.92 SLC6A7 (0.40) BRAFSLC6A7CNR1CNR2NPC1
SCHEMBL4841441 0.91 CNR1 (0.34) BRAFSLC6A7CNR1CNR2NPC1
SCHEMBL4838469 0.89 PARP1 (0.40) CNR1CNR2
SCHEMBL5381366 0.87 MAPT (0.42) BRAFSLC6A7POLBMAPTHPGD
SCHEMBL4843762 0.85 CNR1 (0.33) CNR1CNR2TP53
SCHEMBL4841245 0.83 CNR1 (0.34) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL4841250 0.83 CNR1 (0.34) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL4843297 0.83 HSD11B1 (0.34) CNR1CNR2
SCHEMBL4832935 0.83 CNR1 (0.36) CNR1CNR2
SCHEMBL4832940 0.81 CNR1 (0.36) CNR1CNR2POLBMAPTTP53

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-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US claimed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US claimed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157839-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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 BRAF 3278/4885SLC6A7 2960/4885MAP3K12 2441/4885

“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.