SCHEMBL5725607

SCHEMBL5725607

O=S(=O)(c1cccc2ccccc12)n1cc(CC2CCNCC2)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.46
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40

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
SCHEMBL5727247 0.85 HTR6 (0.58) HTR6CCNE1CDK2
SCHEMBL5725645 0.84 HTR6 (0.57) HTR6
SCHEMBL5726272 0.80 HTR6 (0.51) HTR6HTR7CCNE1CDK2
SCHEMBL7090612 0.78 HTR6 (0.41) HTR6CCNE1CDK2
SCHEMBL5726572 0.78 HTR6 (0.52) HTR6HTR2AHTR2C
SCHEMBL5726286 0.78 HTR6 (0.59) HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL5727383 0.77 HTR6 (0.61) HTR6HTR2AHTR2C
SCHEMBL1772540 0.77 HTR6 (0.64) HTR6CCNE1CDK2
SCHEMBL5726320 0.77 HTR6 (0.38) HTR6CYP3A4TSHRNFKB1THPO
SCHEMBL5725919 0.74 HTR2A (0.51) HTR6MAPTHTR2AHTR2C

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
EP-1355900-B1 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-05-24 — — EP claimed
US-20030225121-A1 Heterocyclylalkylindole or-azaindole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-04 — — 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
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 660/4885TSHR 240/4885
US-20030225121-A1 Heterocyclylalkylindole or-azaindole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885CYP3A4 660/4885TSHR 240/4885

“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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