SCHEMBL730731

SCHEMBL730731

CN1CCN(C2CCc3c(NS(=O)(=O)c4c(Cl)nc5sccn45)cccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.48
ADRA2A P08913 2/20 0.46
ACLY P53396 1/20 0.46
CCKBR P32239 1/20 0.45
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL748742 1.00 HTR6 (0.48) HTR6ADRA2AACLYCCKBRPKM
SCHEMBL13442965 0.83 HTR6 (0.59) HTR6ADRA2AHTR2C
SCHEMBL3647932 0.83 HTR6 (0.59) HTR6ADRA2AHTR2C
SCHEMBL750178 0.82 HTR6 (0.61) HTR6ADRA2AHTR2C
SCHEMBL730733 0.82 HTR6 (0.61) HTR6ADRA2AHTR2C
SCHEMBL10239558 0.81 ACLY (0.52) HTR6ADRA2AACLYCCKBR
Hydrochloric Acid SCHEMBL4523520 0.80 ACLY (0.51) HTR6ADRA2AACLYCCKBR
SCHEMBL14290796 0.78 ACLY (0.56) HTR6ADRA2AACLYCCKBRPKM
SCHEMBL1421966 0.78 ACLY (0.56) HTR6ACLYCCKBRPKMSMN1; SMN2
SCHEMBL10240490 0.76 ACLY (0.47) HTR6ACLYCCKBRHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069378-A1 SUBSTITUTED INDANYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-18 US claimed
EP-1884515-A1 Substituted indanyl sulfonamide compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-02-06 EP claimed
US-20080027073-A1 Substituted indanyl sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-01-31 US claimed
US-8138210-B2 Substituted indanyl sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-03-20 US disclosed
US-20100069378-A1 SUBSTITUTED INDANYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-18 US disclosed
EP-1884515-A1 Substituted indanyl sulfonamide compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-02-06 EP disclosed
US-20080027073-A1 Substituted indanyl sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-01-31 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 (2 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-20080027073-A1 Substituted indanyl sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, GPR6 HTR6 1/4885ADRA2A 46/4885ACLY 3776/4885
US-20100069378-A1 SUBSTITUTED INDANYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, GPR6 HTR6 1/4885ADRA2A 43/4885ACLY 3774/4885

“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.