SCHEMBL4745691

SCHEMBL4745691

FC(F)(F)c1ccc(-c2nc(Cl)nnc2-c2ccncc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
CNR2 P34972 2/20 0.51
KIF11 P52732 1/20 0.42
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
MAOB P27338 1/20 0.36
SRC P12931 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
S1PR1 P21453 1/20 0.35
KLRK1 P26718 1/20 0.35

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
SCHEMBL4695159 0.95 CNR1 (0.53) CNR1CNR2KIF11NPC1ALDH1A1
SCHEMBL4689605 0.79 CNR1 (0.46) CNR1CNR2KIF11NPC1ALDH1A1
SCHEMBL4696218 0.79 CNR1 (0.62) CNR1CNR2KIF11NPC1ALDH1A1
SCHEMBL4696104 0.77 CNR1 (0.44) CNR1CNR2KIF11NPC1ALDH1A1
SCHEMBL4690211 0.77 CNR1 (0.60) CNR1CNR2KIF11NPC1ALDH1A1
SCHEMBL14545109 0.75 CNR1 (0.52) CNR1CNR2KIF11MAPK11MAPK14
SCHEMBL14545110 0.74 CNR1 (0.52) CNR1CNR2KIF11MAPK11MAPK14
SCHEMBL14545732 0.73 CNR1 (0.73) CNR1CNR2MAPTSLC22A12MAPK11
SCHEMBL14545610 0.69 CNR1 (0.69) CNR1CNR2NPC1ALDH1A1MAPT
SCHEMBL14545609 0.69 CNR1 (0.69) CNR1CNR2NPC1ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871762-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2008-01-02 EP disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
WO-2006113704-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-10-26 WO 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885KIF11 4642/4885

“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.