SCHEMBL5253182

SCHEMBL5253182

CN1CCC(c2nn(S(=O)(=O)c3ccccc3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTR6 P50406 10/20 0.46
DRD3 P35462 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL5252318 0.86 HTR6 (0.46) HTR6DRD3HRH3HTR2AHTR2C
Hydrochloric Acid SCHEMBL10395804 0.85 HTR6 (0.46) HTR6DRD3HRH3HTR2AHTR2C
SCHEMBL9778470 0.80 HTR6 (0.48) CNR1HTR6HTR2A
SCHEMBL5253368 0.80 HTR6 (0.50) HTR6DRD3HRH3HTR2AHTR2C
SCHEMBL7483878 0.77 HTR6 (0.67) CYP3A4CYP2D6HTR6HTR2AHTR2C
SCHEMBL5256131 0.76 HTR6 (0.50) CNR1HTR6HTR2A
SCHEMBL18548054 0.76 CNR1 (0.53) CNR1
SCHEMBL18548003 0.74 CNR1 (0.51) CNR1HTR6
SCHEMBL5255255 0.74 HTR6 (0.52) HTR6HTR2AHTR2C
SCHEMBL9778459 0.73 MAT2A (0.56) HTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355904-B1 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-01 EP claimed
EP-1803720-A1 Heterocyclindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP claimed
CN-1553910-A Heterocyclyl-indazole or azaindazole compounds as 5-hydroxytryptamine-6 ligands 2004-12-08 CN claimed
US-20040092526-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US claimed
EP-1355904-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 EP claimed
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands AMERICAN HOME PRODUCTS CORPORATION 2002-12-26 US claimed
WO-2002051837-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 WO claimed
EP-1355904-B1 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-01 EP disclosed
EP-1803720-A1 Heterocyclindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
CN-1281605-C Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2006-10-25 CN disclosed
US-20050124603-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-09 US disclosed
US-6903112-B2 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-07 US disclosed
CN-1553910-A Heterocyclyl-indazole or azaindazole compounds as 5-hydroxytryptamine-6 ligands 2004-12-08 CN disclosed
US-6767912-B2 SUCH AS 1-(PHENYLSULFONYL)-3-(PIPERIDIN-4-YL)-1H-INDAZOLE; FOR MOOD, MOTOR, OR COGNITIVE DISORDERS INCLUDING SCHIZOPHRENIA, ANXIETY, AND DEPRESSION WYETH 2004-07-27 US disclosed
US-20040092526-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US disclosed
EP-1355904-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 EP disclosed
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands AMERICAN HOME PRODUCTS CORPORATION 2002-12-26 US disclosed
WO-2002051837-A2 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 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-20040092526-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A CNR1 34/4885CYP3A4 317/4885CYP2D6 69/4885
US-20050124603-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR3B CNR1 39/4885CYP3A4 288/4885CYP2D6 61/4885
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A CNR1 34/4885CYP3A4 317/4885CYP2D6 69/4885

“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.