SCHEMBL3533673

SCHEMBL3533673

CC(C)NCCCc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.45
SLC6A2 P23975 3/20 0.40
HTR2C P28335 3/20 0.40
ADRA2C P18825 2/20 0.40
SLC6A4 P31645 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
CASR P41180 2/20 0.40
DRD2 P14416 2/20 0.40
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
ADRB1 P08588 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GLRA1 P23415 1/20 0.40
AVPR2 P30518 1/20 0.40
HRH1 P35367 1/20 0.40
MC3R P41968 1/20 0.40

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
SCHEMBL3531411 0.97 HTR6 (0.44) HTR6SLC6A2HTR2CADRA2CSLC6A4
SCHEMBL3531711 0.89 HTR6 (0.47) HTR6HTR2B
SCHEMBL3538318 0.87 HTR6 (0.48) HTR6HTR2B
SCHEMBL3532330 0.86 HTR6 (0.45) HTR6HTR2CCYP2D6HTR2B
SCHEMBL8239566 0.85 SLC6A2 (0.46) SLC6A2OPRM1CHRM1SLC6A3HTR2A
SCHEMBL3532376 0.85 HTR6 (0.51) HTR6HTR1BNR2E1
SCHEMBL3533899 0.85 HTR6 (0.47) HTR6HTR2B
Hydrochloric Acid SCHEMBL3535443 0.84 HTR6 (0.50) HTR6HTR1BNR2E1
SCHEMBL3529481 0.84 HTR6 (0.52) HTR6HTR2CHTR2B
SCHEMBL3536756 0.83 HTR6 (0.53) HTR6HTR2CDRD3HTR2AHTR7

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 7 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
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 1/4885SLC6A2 47/4885HTR2C 7/4885

“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.