SCHEMBL13993147

SCHEMBL13993147

O=C1CCn2c(CN3CCC(c4ccc(F)cc4)CC3)nc3cc(F)cc1c32

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
GRM2 Q14416 4/20 0.38
DRD3 P35462 2/20 0.38
CHRM4 P08173 1/20 0.38
ACHE P22303 2/20 0.37
MCHR1 Q99705 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BCHE P06276 1/20 0.35
CCR3 P51677 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4752542 0.85 PARP1 (0.45) DRD2DRD4GRM2DRD3
SCHEMBL4947933 0.81 DRD2 (0.39) DRD2DRD4GRM2DRD3CHRM4
SCHEMBL4943727 0.76 DRD2 (0.38) DRD2DRD4GRM2DRD3CHRM4
SCHEMBL4948946 0.75 DRD2 (0.44) DRD2DRD4GRM2DRD3ACHE
SCHEMBL4752555 0.75 DRD2 (0.38) DRD2DRD4GRM2DRD3ACHE
SCHEMBL4944858 0.74 DRD2 (0.48) DRD2DRD4GRM2DRD3ALDH1A1
SCHEMBL4947913 0.73 DRD2 (0.40) DRD2DRD4GRM2DRD3ACHE
SCHEMBL4753676 0.73 GRM2 (0.52) DRD2DRD4GRM2DRD3
SCHEMBL4944411 0.73 GRM2 (0.39) DRD2DRD4GRM2DRD3MCHR1
SCHEMBL4749540 0.73 NPC1 (0.46) DRD2DRD4GRM2DRD3CHRM4

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 4 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 disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US 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 129/4885GRM2 1/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B DRD2 51/4885DRD4 129/4885GRM2 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.