SCHEMBL5630003

SCHEMBL5630003

CNC(=S)N1CCCC[C@@H]1c1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.53
SCD O00767 2/20 0.53
CPT2 P23786 3/20 0.44
CPT1A P50416 3/20 0.44
USP30 Q70CQ3 6/20 0.43
CPT1B Q92523 1/20 0.42
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
FAAH O00519 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL4076414 1.00 SCD5 (0.53) SCD5SCDCPT2CPT1AUSP30
SCHEMBL4344394 0.97 SCD5 (0.56) SCD5SCDCPT2CPT1AUSP30
SCHEMBL2899238 0.97 SCD5 (0.56) SCD5SCDCPT2CPT1AUSP30
SCHEMBL3963503 0.88 SCD5 (0.59) SCD5SCDCPT2CPT1AUSP30
SCHEMBL2889901 0.85 SMN1; SMN2 (0.48) USP30NPC1TP53HPGDTSHR
SCHEMBL2899332 0.85 SMN1; SMN2 (0.48) USP30NPC1TP53HPGDTSHR
SCHEMBL8229293 0.85 NPC1 (0.42) SCD5SCDCPT1AUSP30NPC1
SCHEMBL3963506 0.83 SCD5 (0.60) SCD5SCDCPT2CPT1AUSP30
SCHEMBL3963501 0.83 SCD5 (0.60) SCD5SCDCPT2CPT1AUSP30
SCHEMBL13412244 0.83 HCRTR1 (0.51) SCD5SCDHCRTR1HCRTR2

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-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
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 1757/4885CPT2 750/4885

“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.