SCHEMBL4815665

SCHEMBL4815665

ClC1CCCN(Cc2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.68
▸ CYP3A4 P08684 3/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ KDM4E B2RXH2 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CYP2C9 P11712 2/20 0.55
▸ BCHE P06276 2/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ ACHE P22303 1/20 0.51

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
SCHEMBL6972688 0.89 ACHE (0.59) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL6972698 0.89 ACHE (0.59) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL7355606 0.85 SLC6A3 (0.61) SIGMAR1ACHE
SCHEMBL7348925 0.85 SLC6A3 (0.61) SIGMAR1ACHE
SCHEMBL7348929 0.85 SLC6A3 (0.61) SIGMAR1ACHE
SCHEMBL22755862 0.81 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL3369987 0.81 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL22829165 0.81 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL21419827 0.81 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL994346 0.81 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-12-11 — — US disclosed
US-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-12-11 — — US disclosed
US-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-12-11 — — US disclosed
US-7411064-B2 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-12 — — US disclosed
US-7411064-B2 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-12 — — US disclosed
US-7411064-B2 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-12 — — US disclosed
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-29 — — US disclosed
US-7057039-B2 1-heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-06 — — US disclosed
CN-1668620-A 1-heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2005-09-14 — — CN disclosed
EP-1551840-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-07-13 — — EP disclosed
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 — — US disclosed
WO-2004009600-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-01-29 — — WO 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-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR2C CYP2D6 178/4885CYP3A4 750/4885ALDH1A1 1029/4885
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR5A CYP2D6 198/4885CYP3A4 771/4885ALDH1A1 884/4885
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C CYP2D6 178/4885CYP3A4 750/4885ALDH1A1 1029/4885

“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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