SCHEMBL8424733

SCHEMBL8424733

CN(C)CCCc1ccc2[nH]nc(S)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
HTR1A P08908 3/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
NTRK1 P04629 1/20 0.39
SLC6A4 P31645 8/20 0.38
MPO P05164 1/20 0.38
ITK Q08881 1/20 0.37
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8424448 0.91 ITK (0.44) HTR1AHTR1DHTR1BNTRK1ITK
SCHEMBL8239964 0.84 PARP1 (0.44) PARP1HTR1AHTR1DHTR1BNTRK1
SCHEMBL8423849 0.81 PDE3B (0.41) NTRK1
SCHEMBL8424760 0.81 CYP1A2 (0.41) HTR1AHTR1DHTR1BNTRK1MPO
SCHEMBL8424751 0.79 PDE3B (0.41) HTR1AHTR1DHTR1BNTRK1
SCHEMBL8424834 0.79 HTR1A (0.41) HTR1AHTR1DHTR1BMPO
SCHEMBL8423782 0.77 HRH4 (0.36) NTRK1SLC6A4HTR2CKCNH2
SCHEMBL8424226 0.77 MAPT (0.42) NTRK1MPOHTR2C
SCHEMBL8424587 0.76 ROCK2 (0.36) PARP1NTRK1
SCHEMBL3533331 0.74 SIGMAR1 (0.40) PARP1SLC6A4

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 PARP1 3736/4885HTR1A 3/4885HTR1D 12/4885

“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.