Sugi Predict

Sugi Predict / Compounds / SCHEMBL3886989

SCHEMBL3886989

SCHEMBL3886989

CN(C)CCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2cnccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.61
▸ HTR2C P28335 3/20 0.61
▸ HTR7 P34969 3/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2A6 P11509 1/20 0.61
▸ HTR2B P41595 1/20 0.61
▸ HTR1D P28221 2/20 0.57
▸ HTR1B P28222 2/20 0.57
▸ ADRB2 P07550 1/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ S1PR1 P21453 1/20 0.57
▸ C5AR1 P21730 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ FPR3 P25089 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ GPR183 P32249 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ HRH1 P35367 1/20 0.57
▸ ADRA1B P35368 1/20 0.57

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
SCHEMBL3900521 0.93 HTR6 (0.61) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL3893125 0.88 HTR6 (0.78) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5738365 0.88 HTR6 (0.78) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5239913 0.84 HTR6 (0.58) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5239910 0.84 HTR6 (0.58) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5235563 0.84 HTR6 (0.58) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5240330 0.83 HTR6 (0.58) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL3324453 0.83 HTR6 (0.57) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL3202014 0.82 MET (0.59) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5239151 0.82 HTR6 (0.55) HTR6HTR2CHTR7CYP3A4CYP2A6

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
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 — — US disclosed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 — — EP disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 — — US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 — — US disclosed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 — — US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 — — US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 — — 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 (3 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-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885HTR2C 9/4885HTR7 6/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 HTR6 1/4885HTR2C 8/4885HTR7 3/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 HTR6 1/4885HTR2C 8/4885HTR7 3/4885

“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.