SCHEMBL3354718

SCHEMBL3354718

O=S(=O)(Nc1ccc2c(c1)CN1CCC[C@H]1CO2)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.46
GHSR Q92847 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PFKFB3 Q16875 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN5 P54829 1/20 0.41
TSHR P16473 1/20 0.40
PGR P06401 1/20 0.40
TYMS P04818 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL3353097 0.85 ALDH1A1 (0.45) HTR6GHSRALDH1A1TSHRPGR
SCHEMBL3355409 0.81 EIF2AK2 (0.46) HTR6GHSR
SCHEMBL3354395 0.78 MAPT (0.48) HTR6ALDH1A1PTPN2PTPN1PTPN5
SCHEMBL13757730 0.71 HTR6 (0.57) HTR6GHSRALDH1A1HTTPFKFB3
Hydrochloric Acid SCHEMBL3155920 0.70 HTR6 (0.56) HTR6GHSRALDH1A1HTTPFKFB3
SCHEMBL29588010 0.69 HDAC1 (0.50) HTR6GHSRALDH1A1HTTPFKFB3
SCHEMBL7506634 0.68 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3351077 0.67 CHRNB4 (0.44)
SCHEMBL29586852 0.67 ALDH1A1 (0.47) HTR6GHSRALDH1A1HTTPFKFB3
Hydrochloric Acid SCHEMBL7509380 0.67 ALDH1A1 (0.39) ALDH1A1

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 HTR6 1/4885GHSR 950/4885ALDH1A1 966/4885

“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.