SCHEMBL4153918

SCHEMBL4153918

Cc1cccc2nc(CCCN3CCC(CCOc4ccc(F)cc4)CC3)n(C)c12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NPY1R P25929 4/20 0.43
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
DRD2 P14416 4/20 0.40
HTR2A P28223 4/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR1A P08908 2/20 0.40
DRD1 P21728 2/20 0.40
DRD3 P35462 2/20 0.40
DRD5 P21918 1/20 0.40

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
SCHEMBL4146888 0.90 NPY1R (0.41) NPY1RDRD2DRD3
SCHEMBL4139195 0.82 PARP1 (0.55) DRD2HTR2ASIGMAR1HTR1ADRD1
SCHEMBL4151609 0.80 GRM2 (0.41) NPY1RDRD2DRD3
SCHEMBL4139579 0.77 CYP2D6 (0.43) SLC6A4SLC6A3DRD2DRD3
SCHEMBL4147399 0.77 MAOB (0.46) SLC6A4SLC6A3DRD2DRD3
SCHEMBL4147722 0.76 MCHR1 (0.49) DRD2DRD3
SCHEMBL4154556 0.75 NPC1 (0.58) DRD2DRD3
SCHEMBL7325179 0.75 SLC6A4 (0.71) SLC6A4SLC6A3DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7319263 0.74 SLC6A4 (0.69) SLC6A4SLC6A3DRD2HTR2AHTR2C
SCHEMBL4142025 0.74 MAOB (0.42) DRD2DRD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US claimed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
WO-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 WO 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 (1 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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 SLC6A4 961/4885SLC6A3 1001/4885NPY1R 450/4885

“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.