Sugi Predict

Sugi Predict / Compounds / SCHEMBL8239441

SCHEMBL8239441

SCHEMBL8239441

CNCCOc1cc(F)cc2c(S(=O)(=O)c3cccc4ccccc34)nn(Cc3cccc(Cl)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ ADRA1D P25100 1/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ BCHE P06276 2/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 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
Hydrochloric Acid SCHEMBL3531763 0.99 HTR6 (0.42) HTR6DRD2HTR2CHTR2BHTR1D
Hydrochloric Acid SCHEMBL3535710 0.92 HTR6 (0.41) HTR6DRD2HTR2CHTR2BHTR1B
SCHEMBL3532480 0.91 HTR6 (0.45) HTR6DRD2HTR2CHTR2BHTR1D
SCHEMBL3532374 0.90 HTR6 (0.42) HTR6DRD2HTR2CHTR2BGRIN1
SCHEMBL3533996 0.90 HTR6 (0.42) HTR6DRD2HTR2CHTR2BHTR1B
Hydrochloric Acid SCHEMBL3535681 0.89 HTR6 (0.41) HTR6DRD2HTR2CHTR2BHTR1D
SCHEMBL3531496 0.89 HTR6 (0.42) HTR6DRD2HTR2CHTR2BHTR1B
Hydrochloric Acid SCHEMBL3531766 0.88 HTR6 (0.41) HTR6DRD2HTR2CHTR2BHTR1B
Hydrochloric Acid SCHEMBL3528624 0.88 HTR6 (0.41) HTR6DRD2HTR2CHTR2BHTR1D
Hydrochloric Acid SCHEMBL3535711 0.88 HTR6 (0.41) HTR6DRD2HTR2CHTR2BHTR1B

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
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 — — US disclosed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 — — US 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
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 1/4885DRD2 117/4885HTR2C 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.