SCHEMBL5380347

SCHEMBL5380347

FC(F)(F)COc1ccnc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
NPC1 O15118 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 4/20 0.36
THRB P10828 2/20 0.36
ALOX5AP P20292 1/20 0.36
KMT2A Q03164 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
AVPR2 P30518 2/20 0.34
AVPR1A P37288 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
SCN9A Q15858 2/20 0.33
CNR1 P21554 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ARF6 P62330 1/20 0.33

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
SCHEMBL5384163 0.86 NPC1 (0.44) MAPK14NPC1NPSR1MAPTTHRB
SCHEMBL5380008 0.83 NPC1 (0.39) MAPK14NPC1NPSR1MAPTTHRB
SCHEMBL5380218 0.80 NPC1 (0.47) NPC1NPSR1MAPTTHRBKMT2A
SCHEMBL5380215 0.79 NPC1 (0.62) NPC1NPSR1MAPTTHRBKMT2A
SCHEMBL5375812 0.78 NPC1 (0.45) NPC1NPSR1MAPTTHRBKMT2A
SCHEMBL6507869 0.74 CNR1 (0.49) ADORA2AADORA2BADORA1AVPR2AVPR1A
SCHEMBL5669316 0.74 MCHR1 (0.39) NPC1NPSR1
SCHEMBL5617459 0.73 CNR1 (0.37) MAPK14NPC1NPSR1MAPTKMT2A
SCHEMBL4833400 0.73 SRC (0.39) MAPK14NPC1NPSR1KMT2AMEN1
SCHEMBL4842601 0.73 SRC (0.41) MAPK14NPC1NPSR1KMT2AMEN1

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 8 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 claimed
US-20040157838-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US claimed
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 MAPK14 2218/4885NPC1 650/4885NPSR1 10/4885

“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.