SCHEMBL6586530

SCHEMBL6586530

O=S(=O)(c1c[nH]c2c(N3CCNCC3)cccc12)n1ccc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.55
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
NCF1 P14598 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
MTOR P42345 1/20 0.46
HTR3A P46098 1/20 0.46
HTR5A P47898 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL6587684 0.88 HTR6 (0.62) HTR6HTR1ACYP2D6HTR2A
SCHEMBL6589952 0.78 HTR6 (0.49) HTR6TSHRHTR2AHTR7ALDH1A1
SCHEMBL1136474 0.78 HTR6 (0.76) HTR6HTR3EHTR3BCYP1A2HTR1A
Hydrochloric Acid SCHEMBL4319125 0.77 HTR6 (0.74) HTR6HTR3EHTR3BCYP1A2HTR1A
SCHEMBL5203017 0.76 HTR6 (0.77) HTR6HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL5201686 0.75 HTR6 (0.76) HTR6HTR1AHTR2AHTR7
SCHEMBL6587948 0.75 MET (0.46) HTR6TSHRHTR2AALDH1A1LMNA
SCHEMBL5201145 0.73 HTR6 (0.69) HTR6HTR3EHTR3BCYP1A2HTR1A
SCHEMBL6698850 0.73 HTR6 (0.63) HTR6HTR3EHTR3BCYP1A2HTR1A
Ammonia Solution, Strong SCHEMBL6589958 0.73 HTR6 (0.51) HTR6TSHRALDH1A1LMNAHPGD

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-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders SMITHKLINE BEECHAM PLC (GB) 2004-12-02 US claimed
US-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders SMITHKLINE BEECHAM PLC (GB) 2004-12-02 US disclosed
EP-1414442-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 EP disclosed
WO-2003013510-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-02-20 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-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders HTR6, HTR7, HTR1A HTR6 1/4885HTR3E 18/4885HTR3B 10/4885

“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.