SCHEMBL3535765

SCHEMBL3535765

CC1CN(Cc2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.54
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
NFKB1 P19838 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
HTR2B P41595 6/20 0.39
DRD2 P14416 3/20 0.39
HTR2C P28335 3/20 0.39
AKR1B1 P15121 1/20 0.39
GRM2 Q14416 2/20 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
SCHEMBL3540743 1.00 HTR6 (0.54) HTR6CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL3535081 1.00 HTR6 (0.54) HTR6CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL3535830 0.90 HTR6 (0.50) HTR6HTR2BDRD2HTR2CAKR1B1
SCHEMBL3533382 0.87 HTR6 (0.71) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3533508 0.85 HTR6 (0.57) HTR6HTR2BDRD2HTR7
SCHEMBL3530768 0.85 HTR6 (0.51) HTR6HTR2BDRD2HTR1AHTR1D
SCHEMBL3536708 0.76 HTR6 (0.48) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3549922 0.75 ROCK1 (0.56) HTR6HTR2BDRD2HTR2CKCNH2
SCHEMBL3531542 0.75 HTR6 (0.46) HTR6DRD2HTR1AHTR7
SCHEMBL3532330 0.73 HTR6 (0.45) HTR6CYP2D6HTR2BHTR2CAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO claimed
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 claimed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US 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 1/4885CYP3A4 1682/4885CYP2D6 97/4885

“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.