SCHEMBL3574248

SCHEMBL3574248

O=Cc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3c(F)cccc23)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.40
APP P05067 1/20 0.38
DRD2 P14416 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.35
UBE2N P61088 1/20 0.34
TNFSF11 O14788 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLK1 P53350 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5355112 0.82 HTR6 (0.60) HTR6DRD2CA12CA1CA2
SCHEMBL3568121 0.78 HTR6 (0.38) HTR6MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2111716 0.72 HTR6 (0.42) HTR6DRD2CA12CA1CA2
SCHEMBL1468084 0.70 AKR1C3 (0.54) HTR6KDM4EMEN1MAPTHPGD
SCHEMBL13221493 0.70 DPP4 (0.47) APPKDM4EMEN1MAPTHPGD
SCHEMBL5350245 0.69 HTR6 (0.55) HTR6DRD2CA12CA1CA2
SCHEMBL2137464 0.69 KDM4E (0.64) HTR6CA1CA2CA9KDM4E
SCHEMBL5354623 0.67 HTR6 (0.52) HTR6DRD2CA12CA1CA2
SCHEMBL2557854 0.65 APP (0.40) APPHPGDDPP4CYP3A4
SCHEMBL4218405 0.64 KDM4E (0.47) HTR6APPCA12CA1CA2

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
US-7700634-B2 (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor N.V. ORGANON (NL) 2010-04-20 US disclosed
CN-100522161-C (indol-3-yl) -heterocyclic derivatives as agonists of the cannabinoid CB1 receptor AKZO NOBEL NV (NL) 2009-08-05 CN disclosed
EP-1725232-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR ORGANON NV (NL) 2008-01-23 EP disclosed
US-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor MERCK SHARP & DOHME B.V. (NL) 2007-06-21 US disclosed
CN-1929836-A (indol-3-yl) -heterocyclic derivatives as agonists of the cannabinoid CB1 receptor AKZO NOBEL NV (NL) 2007-03-14 CN disclosed
EP-1725232-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR N.V. Organon (NL) 2006-11-29 EP disclosed
WO-2005089754-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR AKZO NOBEL N.V. (NL) 2005-09-29 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 (1 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-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor CNR1, CNR2, OPRL1 HTR6 56/4885APP 2614/4885DRD2 171/4885

“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.