SCHEMBL4943868

SCHEMBL4943868

Clc1ccc(C2CCN(Cc3nc4cc(Cl)cc5c4n3CCC5)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
DRD4 P21917 4/20 0.51
GRM2 Q14416 4/20 0.51
DRD3 P35462 3/20 0.51
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MCHR1 Q99705 7/20 0.42
KCNH2 Q12809 2/20 0.38
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4948946 0.93 DRD2 (0.44) DRD2DRD4GRM2DRD3MCHR1
SCHEMBL4949187 0.93 DRD2 (0.46) DRD2DRD4GRM2DRD3MEN1
SCHEMBL4749767 0.91 DRD2 (0.51) DRD2DRD4GRM2DRD3MEN1
SCHEMBL4943381 0.90 DRD2 (0.44) DRD2DRD4GRM2DRD3MCHR1
SCHEMBL4944033 0.90 GRM2 (0.51) DRD2DRD4GRM2DRD3MCHR1
SCHEMBL4950382 0.89 DRD2 (0.56) DRD2DRD4GRM2DRD3MEN1
SCHEMBL4947686 0.86 GRM2 (0.46) DRD2DRD4GRM2DRD3MEN1
SCHEMBL4947832 0.86 DRD2 (0.48) DRD2DRD4GRM2DRD3MEN1
SCHEMBL4950333 0.84 DRD2 (0.55) DRD2DRD4GRM2DRD3HTR2C
SCHEMBL4949378 0.84 DRD2 (0.47) DRD2DRD4GRM2DRD3MCHR1

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 129/4885GRM2 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.