SCHEMBL3532779

SCHEMBL3532779

COc1cc(OCCN2CCCCC2)c2c(c1)c(S(=O)(=O)c1cccc3ccccc13)nn2Cc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.45
HTR2C P28335 3/20 0.41
HTR2B P41595 2/20 0.41
DRD2 P14416 1/20 0.41
LTA4H P09960 1/20 0.39
ABCB1 P08183 1/20 0.39
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP13 P45452 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 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
SCHEMBL3531810 0.90 HTR6 (0.47) HTR6HTR2CHTR2BDRD2LTA4H
SCHEMBL3535461 0.89 HTR6 (0.47) HTR6HTR2CHTR2BDRD2LTA4H
Hydrochloric Acid SCHEMBL3535685 0.87 HTR6 (0.42) HTR6HTR2CHTR2BDRD2HTR1B
Hydrochloric Acid SCHEMBL3528632 0.86 HTR6 (0.41) HTR6HTR2CHTR2BDRD2HTR1B
Hydrochloric Acid SCHEMBL3535681 0.86 HTR6 (0.41) HTR6HTR2CHTR2BDRD2HTR1A
Hydrochloric Acid SCHEMBL3532514 0.86 HTR6 (0.41) HTR6HTR2CHTR2BDRD2ALDH1A1
SCHEMBL3532678 0.86 HTR6 (0.47) HTR6HTR2CHTR2BDRD2ALDH1A1
Hydrochloric Acid SCHEMBL3533506 0.85 HTR6 (0.44) HTR6HTR2CHTR2BDRD2HTR1A
Hydrochloric Acid SCHEMBL3535747 0.85 HTR6 (0.41) HTR6HTR2CHTR2BDRD2HTR1A
Hydrochloric Acid SCHEMBL3532186 0.85 HTR6 (0.41) HTR6HTR2CHTR2BDRD2ABCB1

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-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 1/4885HTR2C 7/4885HTR2B 22/4885

“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.