SCHEMBL4559982

SCHEMBL4559982

Cn1c(-c2ccncc2)nnc1N1CCCC1c1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.45
SCD5 Q86SK9 2/20 0.45
USP30 Q70CQ3 9/20 0.42
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GRM5 P41594 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SYK P43405 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL4559981 1.00 SCD (0.45) SCDSCD5USP30HCRTR1HCRTR2
SCHEMBL5630658 0.97 SCD (0.42) SCDSCD5USP30HCRTR1HCRTR2
SCHEMBL5658783 0.92 SCD (0.44) SCDSCD5USP30HCRTR1HCRTR2
SCHEMBL5658775 0.92 SCD (0.44) SCDSCD5USP30HCRTR1HCRTR2
SCHEMBL4347350 0.91 USP30 (0.44) SCDSCD5USP30HCRTR1HCRTR2
SCHEMBL4347341 0.91 USP30 (0.44) SCDSCD5USP30HCRTR1HCRTR2
SCHEMBL2896421 0.91 SCD5 (0.44) SCDSCD5USP30HRH3CYP3A4
SCHEMBL2896412 0.91 SCD5 (0.44) SCDSCD5USP30HRH3CYP3A4
SCHEMBL5627991 0.89 CHRNB2 (0.41) SCDSCD5USP30HRH3CYP3A4
SCHEMBL2899411 0.89 SCD (0.42) SCDSCD5USP30GRM5HRH3

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
EP-2032568-A2 POLYCYCLIC HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF THE METABOTROPIC GLUTAMATE 5 RECEPTOR AstraZeneca AB (SE) 2009-03-11 EP claimed
WO-2007130823-A2 POLYCYCLIC HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF THE METABOTROPIC GLUTAMATE 5 RECEPTOR ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259923-A1 MGluR5 modulators IV ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259923-A1 MGluR5 modulators IV 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-20070259923-A1 MGluR5 modulators IV GRM5, GRM4, GRIK5 SCD 1643/4885SCD5 412/4885USP30 3632/4885

“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.