SCHEMBL4945433

SCHEMBL4945433

Fc1cc(F)cc(OCCC2CCN(Cc3nc4cccc5c4n3CCO5)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A3 Q01959 5/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
MAOA P21397 1/20 0.34
CHRM4 P08173 2/20 0.33
CHEK2 O96017 1/20 0.33
HTR1A P08908 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
SCHEMBL4751305 0.92 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2LIPGCHRM4
SCHEMBL4751794 0.90 GRM2 (0.38) DRD2DRD4LIPGMAOA
SCHEMBL14582408 0.83 NPC1 (0.43) DRD2DRD4SLC6A3SLC6A4SLC6A2
SCHEMBL4745230 0.81 MAOB (0.43) DRD4SLC6A3SLC6A4LIPGMAOA
SCHEMBL4693428 0.81 CHEK2 (0.38) DRD2SLC6A3SLC6A4SLC6A2CHEK2
SCHEMBL4947552 0.80 CYP2D6 (0.39) DRD4SLC6A3SLC6A4LIPG
SCHEMBL4941482 0.79 LIPG (0.36) DRD2DRD4LIPG
SCHEMBL13993059 0.77 DRD2 (0.43) DRD2DRD4CHRM4
SCHEMBL4750532 0.77 GRM2 (0.45) DRD2DRD4SLC6A4HTR1A
SCHEMBL4941648 0.76 DRD2 (0.34) DRD2DRD4SLC6A3SLC6A4SLC6A2

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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US claimed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US claimed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B DRD2 51/4885DRD4 129/4885SLC6A3 122/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B DRD2 51/4885DRD4 129/4885SLC6A3 122/4885

“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.