SCHEMBL5726297

SCHEMBL5726297

O=S(=O)(c1ccccc1)n1cc(CC2CCNCC2)c2ccc(F)cc21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 20/20 0.61
▸ CYP3A4 P08684 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46

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
SCHEMBL5726028 0.93 HTR6 (0.52) HTR6HTR2AHTR2C
SCHEMBL5726234 0.91 HTR6 (0.70) HTR6
Hydrochloric Acid SCHEMBL27584383 0.90 HTR6 (0.69) HTR6CYP3A4
SCHEMBL5726139 0.87 HTR6 (0.46) HTR6HTR2AHTR2C
SCHEMBL5726115 0.86 HTR6 (0.69) HTR6
SCHEMBL5726925 0.85 HTR6 (0.47) HTR6CYP3A4HTR2AHTR2C
SCHEMBL5726572 0.85 HTR6 (0.52) HTR6HTR2AHTR2C
SCHEMBL5726050 0.83 HTR6 (0.65) HTR6
SCHEMBL5725993 0.81 HTR6 (0.71) HTR6CYP3A4
SCHEMBL5727620 0.81 HTR6 (0.58) HTR6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355900-B1 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-05-24 — — EP claimed
CN-1492863-A Heterocyclylalkyl-indole or azaindole compounds as 5-hydroxytryptamine-6 ligands — 2004-04-28 — — CN claimed
US-20030225121-A1 Heterocyclylalkylindole or-azaindole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-04 — — US claimed
US-6613781-B2 Potential use in the treatment of a variety of central nervous system disorders such as anxiety, depression, epilepsy, obsessive-compulsive disorders, migraine, congnitive disorders, sleep disorders and schizophrenia WYETH 2003-09-02 — — US claimed
US-20020128477-A1 Heterocyclylalkylindole or -azaindole compounds as 5-hydroxytryptamine-6 ligands AMERICAN HOME PRODUCTS CORPORATION (US) 2002-09-12 — — US claimed
EP-1355900-B1 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-05-24 — — EP disclosed
CN-1492863-A Heterocyclylalkyl-indole or azaindole compounds as 5-hydroxytryptamine-6 ligands — 2004-04-28 — — CN disclosed
US-20030225121-A1 Heterocyclylalkylindole or-azaindole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-04 — — US disclosed
US-6613781-B2 Potential use in the treatment of a variety of central nervous system disorders such as anxiety, depression, epilepsy, obsessive-compulsive disorders, migraine, congnitive disorders, sleep disorders and schizophrenia WYETH 2003-09-02 — — US disclosed
US-20020128477-A1 Heterocyclylalkylindole or -azaindole compounds as 5-hydroxytryptamine-6 ligands AMERICAN HOME PRODUCTS CORPORATION (US) 2002-09-12 — — 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 (2 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-20020128477-A1 Heterocyclylalkylindole or -azaindole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885CYP3A4 660/4885HTR2A 5/4885
US-20030225121-A1 Heterocyclylalkylindole or-azaindole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885CYP3A4 660/4885HTR2A 5/4885

“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.

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