SCHEMBL3324653

SCHEMBL3324653

O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.72
BRD4 O60885 1/20 0.43
TYMS P04818 1/20 0.43
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
HTR2B P41595 2/20 0.40
CYP17A1 P05093 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
SCHEMBL4480862 0.84 HTR6 (1.00) HTR6BRD4ALDH1A1HTR2B
Water SCHEMBL4559431 0.83 HTR6 (0.98) HTR6BRD4ALDH1A1HTR2B
Water SCHEMBL4559433 0.83 HTR6 (0.98) HTR6BRD4ALDH1A1HTR2B
SCHEMBL4477508 0.80 HTR6 (0.80) HTR6BRD4ALDH1A1HTTPTPN2
SCHEMBL6475723 0.80 HTR6 (0.80) HTR6BRD4ALDH1A1PGR
SCHEMBL6476010 0.79 HTR6 (0.81) HTR6BRD4
SCHEMBL4482936 0.79 HTR6 (0.81) HTR6
SCHEMBL6472087 0.78 HTR6 (0.76) HTR6PTPN2PTPN1PTPN5TSHR
SCHEMBL4487505 0.76 HTR6 (0.68) HTR6ALDH1A1HTTPTPN2PTPN1
SCHEMBL16551332 0.71 HTR6 (0.48) HTR6GHSRALDH1A1HTTPFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US claimed
US-7534801-B2 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-05-19 US claimed
US-20050107431-A1 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-05-19 US claimed
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO claimed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-7534801-B2 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-05-19 US disclosed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 EP disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
US-20050107431-A1 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-05-19 US disclosed
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 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 (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-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885BRD4 1671/4885TYMS 612/4885
US-20050107431-A1 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 HTR6 1/4885BRD4 1830/4885TYMS 677/4885

“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.