SCHEMBL3532950

SCHEMBL3532950

Nc1ccc(OCCCCCl)cc1CS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.40
MTNR1A P48039 12/20 0.37
MTNR1B P49286 11/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KCNA3 P22001 1/20 0.36
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDIA6 Q15084 1/20 0.34

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
SCHEMBL3533435 0.85 HTR6 (0.38) HTR6MTNR1AMTNR1BCA1CA2
SCHEMBL3531473 0.83 HTT (0.38) HTR6MTNR1AMTNR1B
SCHEMBL8233317 0.83 HTR6 (0.38) HTR6MTNR1AMTNR1BCA1CA9
SCHEMBL3532460 0.82 CA12 (0.42) HTR6MTNR1AMTNR1BCA1CA9
SCHEMBL3531438 0.81 CA12 (0.47) HTR6MTNR1AMTNR1BCA1CA9
SCHEMBL3534223 0.76 NPC1 (0.43) HTR6CA1CA2CA9
SCHEMBL3535404 0.76 HTR1B (0.42) HTR6CA1CA2CA9KCNA3
SCHEMBL3531477 0.75 ALDH1A1 (0.38) HTR6
SCHEMBL5014728 0.75 F2 (0.35) HTR6CA1CA2CA9KCNA3
SCHEMBL3531590 0.74 HTR6 (0.39) HTR6MTNR1AMTNR1BCA1CA2

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 1/4885MTNR1A 32/4885MTNR1B 36/4885

“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.