SCHEMBL5413047

SCHEMBL5413047

COc1ccc(-c2c3nc(C)nc(OCC(F)(F)F)c3nn2-c2ccccc2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CNR1 P21554 7/20 0.39
HTR2A P28223 2/20 0.38
CNR2 P34972 2/20 0.38
OPRK1 P41145 2/20 0.38
CRHR1 P34998 2/20 0.34
MAPT P10636 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL5413210 0.94 CNR1 (0.38) PTGS1PTGS2CNR1HTR2ACNR2
SCHEMBL5413057 0.89 CNR1 (0.49) PTGS1PTGS2CNR1
SCHEMBL5410572 0.82 CNR1 (0.47) CNR1
SCHEMBL5413009 0.69 CNR1 (0.55) CNR1
SCHEMBL5405346 0.69 CNR1 (0.58) CNR1CNR2
SCHEMBL5412841 0.68 CNR1 (0.58) CNR1
SCHEMBL4818917 0.65 CNR1 (0.82) CNR1
SCHEMBL4822346 0.65 CNR1 (0.82) CNR1
SCHEMBL4823734 0.63 CNR1 (0.72) CNR1CNR2
SCHEMBL4821162 0.62 CNR1 (0.72) 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 7 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
EP-1622904-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004096801-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-11 WO 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 PTGS1 652/4885PTGS2 910/4885CNR1 1/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 PTGS1 734/4885PTGS2 955/4885CNR1 1/4885

“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.