SCHEMBL3568121

SCHEMBL3568121

O=S(=O)(c1ccccc1)n1cc(-c2ccc(CN3CCCC3)s2)c2cccc(F)c21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.38
GBA1 P04062 2/20 0.37
CNR1 P21554 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3574248 0.78 HTR6 (0.40) HTR6MEN1KMT2ACYP3A4CYP2D6
SCHEMBL3573733 0.73 CNR1 (0.58) CNR1KCNH2
SCHEMBL3571006 0.69 ALKBH5 (0.40) ALDH1A1LMNA
SCHEMBL5356793 0.68 HTR6 (0.61) HTR6MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2111716 0.67 HTR6 (0.42) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1468084 0.65 AKR1C3 (0.54) HTR6MEN1KMT2ACYP3A4LMNA
SCHEMBL13221495 0.60 S1PR1 (0.52)
SCHEMBL3624442 0.60 HTR6 (0.80) HTR6CYP3A4CYP2D6
SCHEMBL5355112 0.60 HTR6 (0.60) HTR6CYP3A4CYP2D6LMNASMN1; SMN2
SCHEMBL3622626 0.60 HTR6 (0.47) HTR6CYP3A4CYP2D6

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 56/4885GBA1 2802/4885CNR1 1/4885

“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.