SCHEMBL3974945

SCHEMBL3974945

CNC(=S)N1CCC[C@@H]1c1cc(-c2ccccc2)on1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.54
HCRTR2 O43614 2/20 0.54
SCD5 Q86SK9 10/20 0.52
SCD O00767 9/20 0.52
SCN9A Q15858 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13412244 0.89 HCRTR1 (0.51) HCRTR1HCRTR2SCD5SCD
SCHEMBL2896726 0.89 HCRTR1 (0.51) HCRTR1HCRTR2SCD5SCD
SCHEMBL13412243 0.88 GRM5 (0.46) HCRTR1HCRTR2SCD5
SCHEMBL5478785 0.88 SMN1; SMN2 (0.48) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2890825 0.88 GRM5 (0.46) HCRTR1HCRTR2SCD5
SCHEMBL8226950 0.88 HCRTR1 (0.44) HCRTR1HCRTR2SCD5SCDNPC1
SCHEMBL4344394 0.86 SCD5 (0.56) HCRTR1HCRTR2SCD5SCD
SCHEMBL2899238 0.86 SCD5 (0.56) HCRTR1HCRTR2SCD5SCD
SCHEMBL8229293 0.85 NPC1 (0.42) HCRTR1HCRTR2SCD5SCDNPC1
SCHEMBL2889901 0.85 SMN1; SMN2 (0.48) HCRTR1HCRTR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054792-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054792-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM2 HCRTR1 834/4885HCRTR2 370/4885SCD5 442/4885

“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.