SCHEMBL5256131

SCHEMBL5256131

O=S(=O)(c1cccc(F)c1)n1nc(C2CCNCC2)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.50
KCNH2 Q12809 1/20 0.43
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
CNR1 P21554 2/20 0.39

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
SCHEMBL18548054 0.79 CNR1 (0.53) CNR1
Hydrochloric Acid SCHEMBL26911828 0.78 HTR6 (0.49) HTR6
SCHEMBL5253182 0.76 CNR1 (0.47) HTR6HTR2ACNR1
SCHEMBL5253458 0.76 HTR6 (0.57) HTR6DRD2
Hydrochloric Acid SCHEMBL29047321 0.75 HTR6 (0.47) HTR6KCNH2HTR1AHTR7
SCHEMBL24330402 0.74 HTR6 (0.41) HTR6HTR1A
Hydrochloric Acid SCHEMBL26912156 0.73 HTR6 (0.40) HTR6HTR1A
SCHEMBL24329851 0.73 HTR6 (0.45) HTR6HTR1A
Hydrochloric Acid SCHEMBL26911900 0.72 HTR6 (0.45) HTR6
Hydrochloric Acid SCHEMBL29047324 0.71 HTR6 (0.48) HTR6HTR1ACNR1

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 13 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
US-20040092526-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US claimed
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands AMERICAN HOME PRODUCTS CORPORATION 2002-12-26 US 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
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
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 HTR6 1/4885KCNH2 1347/4885HTR1A 3/4885
US-20050124603-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR3B HTR6 1/4885KCNH2 1267/4885HTR1A 6/4885
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885KCNH2 1347/4885HTR1A 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.