SCHEMBL8241245

SCHEMBL8241245

CC(N)(CCc1cccc(Br)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.49
▸ RIPK1 Q13546 1/20 0.45
▸ GRM2 Q14416 4/20 0.43
▸ GRM3 Q14832 4/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ BLM P54132 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ APEX1 P27695 1/20 0.41

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
SCHEMBL6339840 0.84 BLM (0.58) TAAR1RIPK1CYP1A2CYP2C19BLM
SCHEMBL10680474 0.84 BLM (0.58) TAAR1RIPK1CYP1A2CYP2C19BLM
SCHEMBL6339842 0.84 BLM (0.58) TAAR1RIPK1CYP1A2CYP2C19BLM
SCHEMBL31563007 0.83 GRM2 (0.58) TAAR1GRM2GRM3CYP1A2CYP2C19
SCHEMBL3616371 0.82 GRM2 (0.51) TAAR1GRM2GRM3CYP1A2CYP2C19
SCHEMBL27748006 0.82 GRM2 (0.51) TAAR1GRM2GRM3CYP1A2CYP2C19
SCHEMBL202819 0.82 GRM2 (0.51) TAAR1GRM2GRM3CYP1A2CYP2C19
SCHEMBL10685677 0.82 GRM2 (0.43) GRM2GRM3CYP1A2CYP2C19BLM
Hydrochloric Acid SCHEMBL1807415 0.80 GRM2 (0.50) TAAR1GRM2GRM3CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL31587976 0.80 GRM2 (0.50) TAAR1GRM2GRM3CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia ASTRAZENECA AB (SE) 2009-07-09 — — US disclosed
US-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia ASTRAZENECA AB (SE) 2009-07-09 — — US disclosed
WO-2007058601-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-05-24 — — 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-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia PSEN2, MAPT, PSEN1 TAAR1 269/4885RIPK1 2912/4885GRM2 62/4885

“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.

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