SCHEMBL3354337

SCHEMBL3354337

O=S(=O)(Nc1ccc2c(c1)CNCCO2)c1cccc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR6 P50406 3/20 0.40
PKLR P30613 1/20 0.40
IDH1 O75874 1/20 0.39
PKM P14618 2/20 0.38
TRIM24 O15164 1/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 1/20 0.37
HSD17B2 P37059 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 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
SCHEMBL3356845 0.81 PGR (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3350485 0.80 PNMT (0.54) ALDH1A1HTR6PKLRPKMTRIM24
SCHEMBL3357048 0.79 KMT2A (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3355408 0.79 HTR6 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3356837 0.79 HTR6 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3350471 0.78 CYP1A2 (0.70) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3353744 0.76 PKLR (0.65) ALDH1A1PKLRPKMTRIM24BRD1
SCHEMBL3356052 0.75 WDR5 (0.47) ALDH1A1HTR6IDH1PKMMAPT
SCHEMBL3351109 0.75 FABP4 (0.43) KMT2ABRD4
SCHEMBL3355144 0.74 PKM (0.50) ALDH1A1HTR6PKLRPKMMAPT

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-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease ASTRAZENECA AB (SE) 2010-04-29 US claimed
EP-1910321-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-04-16 EP claimed
WO-2007004959-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE ASTRAZENECA AB (SE) 2007-01-11 WO claimed
US-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease ASTRAZENECA AB (SE) 2010-04-29 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 (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-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease HTR6, HTR3B, HTR5A ALDH1A1 966/4885CYP1A2 253/4885CYP3A4 251/4885

“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.