SCHEMBL4950357

SCHEMBL4950357

CC1CCc2cc(F)cc3nc(CN4CCC(CCCc5ccc(F)cc5)CC4)n1c23

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAOB P27338 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4948943 0.85 SLC6A4 (0.37) DRD2DRD4SLC6A4SLC6A3
SCHEMBL4750908 0.83 MAOB (0.38) ACHECYP2D6MAOBSLC6A4SLC6A3
SCHEMBL4947913 0.83 DRD2 (0.40) ACHEDRD2DRD4HTR2AHTR2C
SCHEMBL13993050 0.82 CCR3 (0.44) HTT
SCHEMBL13993052 0.81 DRD4 (0.40) DRD2DRD4TSHRHTT
SCHEMBL4945404 0.81 DRD2 (0.35) DRD2DRD4HTR2AHTR2CSLC6A4
SCHEMBL4947635 0.79 DRD2 (0.35) ACHEDRD2DRD4HTR2AHTR2C
SCHEMBL4754204 0.79 DRD2 (0.42) DRD2DRD4HTR2AHTR2CUSP2
SCHEMBL4817590 0.79 GRM2 (0.42) DRD2DRD4HTR2AHTR2CHTT
SCHEMBL4949652 0.78 DRD2 (0.49) DRD2DRD4HTR2AHTR2CHTT

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 ACHE 2218/4885CYP2D6 1418/4885MAOB 773/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B ACHE 2218/4885CYP2D6 1418/4885MAOB 773/4885

“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.