SCHEMBL3973846

SCHEMBL3973846

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 11/20 0.63
SCD O00767 9/20 0.63
HCRTR1 O43613 2/20 0.61
HCRTR2 O43614 2/20 0.61
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL17063898 0.85 HCRTR1 (0.57) SCD5SCDHCRTR1HCRTR2MEN1
SCHEMBL17063895 0.85 HCRTR1 (0.57) SCD5SCDHCRTR1HCRTR2MEN1
SCHEMBL13876923 0.85 HCRTR1 (0.57) SCD5SCDHCRTR1HCRTR2MEN1
SCHEMBL3975814 0.82 HCRTR1 (0.45) SCD5SCDHCRTR1HCRTR2NPC1
SCHEMBL3975329 0.82 HCRTR1 (0.54) SCD5SCDHCRTR1HCRTR2
SCHEMBL3974945 0.82 HCRTR1 (0.54) SCD5SCDHCRTR1HCRTR2NPC1
SCHEMBL3975322 0.82 HCRTR1 (0.54) SCD5SCDHCRTR1HCRTR2
SCHEMBL13876925 0.80 HCRTR1 (0.52) SCD5SCDHCRTR1HCRTR2
SCHEMBL21536326 0.78 SCD (1.00) SCD5SCD
SCHEMBL21535917 0.78 SCD (1.00) SCD5SCD

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 4 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
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 SCD5 442/4885SCD 2843/4885HCRTR1 834/4885

“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.