SCHEMBL3355409

SCHEMBL3355409

O=S(=O)(Nc1ccc2c(c1)CN1CCC[C@H]1CO2)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.46
NLRP3 Q96P20 1/20 0.46
NR3C1 P04150 1/20 0.44
HTR6 P50406 6/20 0.44
HPGD P15428 1/20 0.43
KCNA1 Q09470 1/20 0.42
KCNAB1 Q14722 1/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
MLNR O43193 2/20 0.41
GHSR Q92847 1/20 0.41
PKM P14618 2/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
UQCRB P14927 2/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL3354395 0.81 MAPT (0.48) NR3C1HTR6MAPTLMNA
SCHEMBL3354718 0.81 HTR6 (0.46) HTR6GHSR
SCHEMBL3353097 0.79 ALDH1A1 (0.45) NR3C1HTR6HPGDGHSRHTR2A
SCHEMBL3357543 0.71 HPGD (0.54) HTR6HPGDDRD2DRD3PKM
SCHEMBL3351077 0.69 CHRNB4 (0.44) MAPTLMNA
SCHEMBL806673 0.68 MTNR1A (0.43) MEN1KMT2A
SCHEMBL14023259 0.66 HCRTR2 (0.36) HRH3HTR2AMEN1KMT2A
SCHEMBL3354096 0.65 DRD2 (0.61) HTR6HPGDDRD2DRD3PKM
Hydrochloric Acid SCHEMBL4408045 0.65 HRH3 (0.44) HPGDHRH3HTR2CHTR1AKMT2A
SCHEMBL7511381 0.65 ALDH1A1 (0.39) HPGDPKMKCNH2TP53MAPT

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 2 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
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 EIF2AK2 4831/4885NLRP3 760/4885NR3C1 1203/4885

“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.