SCHEMBL5972071

SCHEMBL5972071

Cn1cc(S(=O)(=O)c2ccc(N3CCNCC3)cc2)c2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.53
CYP3A4 P08684 2/20 0.49
THRB P10828 3/20 0.48
LMNA P02545 2/20 0.48
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5971931 0.84 HTR6 (0.59) HTR6CYP3A4LMNAKDM4EALDH1A1
SCHEMBL28920377 0.83 HTR6 (0.65) HTR6CYP3A4HTR3EHTR3BHTR3A
SCHEMBL5971994 0.80 HTR6 (0.50) HTR6CYP3A4LMNAKDM4EALDH1A1
SCHEMBL5200370 0.80 HTR6 (0.53) HTR6CYP3A4THRBADRB1
SCHEMBL28920482 0.80 HTR6 (0.61) HTR6CYP3A4THRBHTR3EHTR3B
SCHEMBL5200846 0.80 HTR6 (0.67) HTR6CYP3A4THRBHTR3EHTR3B
SCHEMBL30091139 0.80 HTR6 (0.61) HTR6CYP3A4THRBHTR3EHTR3B
SCHEMBL5202829 0.78 HTR6 (0.57) HTR6CYP3A4THRB
SCHEMBL1136468 0.77 HTR6 (0.64) HTR6CYP3A4POLB
SCHEMBL5972079 0.77 HTR6 (0.53) HTR6CYP3A4THRBLMNAHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556037-B1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-11-02 EP claimed
EP-1556037-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP claimed
WO-2004035047-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-04-29 WO claimed
EP-1556037-B1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-11-02 EP disclosed
US-7022708-B2 4-piperazinyl benzenesulfonyl indoles and uses thereof ROCHE PALO ALTO LLC (US) 2006-04-04 US disclosed
EP-1556037-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP disclosed
US-20040087593-A1 4-Piperazinyl benzenesulfonyl indoles and uses thereof ROCHE PALO ALTO LLC 2004-05-06 US disclosed
WO-2004035047-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-04-29 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-20040087593-A1 4-Piperazinyl benzenesulfonyl indoles and uses thereof HTR6, HTR4, HTR5A HTR6 1/4885CYP3A4 265/4885THRB 838/4885

“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.