SCHEMBL4949541

SCHEMBL4949541

Cc1cc2c3c(c1)nc(CN1CCC(c4ccccc4)CC1)n3CCC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.51
DRD4 P21917 8/20 0.51
GRM2 Q14416 5/20 0.51
DRD3 P35462 5/20 0.51
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL14611365 0.90 GRM2 (0.40) DRD2DRD4GRM2DRD3KDM4E
SCHEMBL4947947 0.90 DRD2 (0.40) DRD2DRD4GRM2DRD3KDM4E
SCHEMBL4749767 0.90 DRD2 (0.51) DRD2DRD4GRM2DRD3ALDH1A1
SCHEMBL4947750 0.89 DRD2 (0.47) DRD2DRD4GRM2DRD3
SCHEMBL4944858 0.88 DRD2 (0.48) DRD2DRD4GRM2DRD3KDM4E
SCHEMBL4947681 0.87 DRD2 (0.38) DRD2DRD4GRM2DRD3
SCHEMBL4948571 0.87 DRD2 (0.48) DRD2DRD4GRM2DRD3KDM4E
SCHEMBL4750530 0.86 CCR3 (0.46) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL4745767 0.85 HTR7 (0.42) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL4950796 0.85 DRD2 (0.55) DRD2DRD4GRM2DRD3KDM4E

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.