SCHEMBL3532291

SCHEMBL3532291

CN(C)CCOCc1ccc2c(c1)c(S(=O)(=O)c1cccc3ccccc13)nn2Cc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.53
HTR2B P41595 4/20 0.51
DRD2 P14416 3/20 0.51
HTR2C P28335 3/20 0.51
HTR1A P08908 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GUCY1B2 O75343 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
GUCY1A2 P33402 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL3589873 0.90 HTR6 (0.53) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3531338 0.88 HTR6 (0.53) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3528217 0.81 HTR6 (0.59) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3527946 0.81 HTR6 (0.53) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3534239 0.80 HTR6 (0.52) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3532667 0.79 HTR6 (0.57) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL8239684 0.78 HTR6 (0.56) HTR6HTR2BDRD2HTR2CPTGER4
SCHEMBL3532651 0.78 HTR6 (0.53) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3531496 0.78 HTR6 (0.42) HTR6HTR2BDRD2HTR2CDRD3
SCHEMBL3530833 0.78 HTR6 (0.59) HTR6HTR2BDRD2HTR2CPTGER4

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A HTR6 1/4885HTR2B 22/4885DRD2 117/4885

“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.