SCHEMBL3962393

SCHEMBL3962393

CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.56
SCD O00767 2/20 0.56
USP30 Q70CQ3 6/20 0.51
CPT1A P50416 5/20 0.49
CPT2 P23786 4/20 0.49
CPT1B Q92523 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42

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
SCHEMBL3968500 1.00 SCD5 (0.56) SCD5SCDUSP30CPT1ACPT2
SCHEMBL2897853 0.97 SCD5 (0.59) SCD5SCDUSP30CPT1ACPT2
SCHEMBL2897851 0.97 SCD5 (0.59) SCD5SCDUSP30CPT1ACPT2
SCHEMBL2890390 0.86 USP30 (0.64) USP30NPC1TP53HPGDTSHR
SCHEMBL8228401 0.86 USP30 (0.53) SCD5SCDUSP30CPT1ANPC1
SCHEMBL8229284 0.86 USP30 (0.53) SCD5SCDUSP30CPT1ANPC1
SCHEMBL2890386 0.86 USP30 (0.64) USP30NPC1TP53HPGDTSHR
SCHEMBL3963501 0.86 SCD5 (0.60) SCD5SCDUSP30CPT1ACPT2
SCHEMBL3963506 0.86 SCD5 (0.60) SCD5SCDUSP30CPT1ACPT2
SCHEMBL2899277 0.84 USP30 (0.57) SCD5USP30NPSR1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027090-A2 MGLUR5 MODULATORS II AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130821-A2 MGLUR5 MODULATORS II ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US 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-20070259916-A1 mGluR5 modulators II GRM5, GRM2, GRIK5 SCD5 378/4885SCD 1757/4885USP30 3230/4885

“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.