SCHEMBL8423782

SCHEMBL8423782

CC(C)NCCCc1ccc2[nH]nc(S)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GSK3B P49841 2/20 0.35
SIGMAR1 Q99720 10/20 0.35
MAP2K4 P45985 1/20 0.32
NTRK1 P04629 2/20 0.31
NSD2 O96028 1/20 0.31
CASP6 P55212 1/20 0.31
MLNR O43193 1/20 0.31
ABCB11 O95342 1/20 0.31
ADRB1 P08588 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
GLRA1 P23415 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL8423849 0.80 PDE3B (0.41) GSK3BMAP2K4NTRK1
SCHEMBL8424226 0.79 MAPT (0.42) SIGMAR1MAP2K4NTRK1CYP2D6CHRM1
SCHEMBL8426645 0.78 GRIN2B (0.39) GSK3BSIGMAR1
SCHEMBL8424760 0.77 CYP1A2 (0.41) MAP2K4NTRK1CYP2D6HRH1
SCHEMBL8424733 0.77 PARP1 (0.43) NTRK1HTR2CSLC6A4KCNH2
SCHEMBL8424834 0.76 HTR1A (0.41) CYP2D6HRH1
SCHEMBL8424751 0.76 PDE3B (0.41) GSK3BMAP2K4NTRK1
SCHEMBL8239566 0.76 SLC6A2 (0.46) HRH3GSK3BSIGMAR1CHRM1SLC6A2
SCHEMBL8424448 0.73 ITK (0.44) HRH3NTRK1ADRA2CHTR2CHRH1
SCHEMBL3533673 0.72 HTR6 (0.45) SIGMAR1MLNRABCB11ADRB1ADORA3

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 2 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
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 HRH4 273/4885HRH3 534/4885GSK3B 1894/4885

“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.