SCHEMBL4347341

SCHEMBL4347341

Cc1cc(-c2nnc(N3CCC[C@@H]3c3cc(-c4cccc(C#N)c4)on3)n2C)ccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 10/20 0.44
SCD O00767 2/20 0.43
SCD5 Q86SK9 2/20 0.43
GRM5 P41594 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SYK P43405 1/20 0.35
ALOX12 P18054 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
LRRK2 Q5S007 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 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
SCHEMBL4347350 1.00 USP30 (0.44) USP30SCDSCD5GRM5PSEN1
SCHEMBL4559982 0.91 SCD (0.45) USP30SCDSCD5GRM5SYK
SCHEMBL4559981 0.91 SCD (0.45) USP30SCDSCD5GRM5SYK
SCHEMBL5662462 0.91 USP30 (0.45) USP30SCDSCD5ALOX12HCRTR1
SCHEMBL5659579 0.91 USP30 (0.45) USP30SCDSCD5ALOX12HCRTR1
SCHEMBL5630658 0.89 SCD (0.42) USP30SCDSCD5GRM5ALOX12
SCHEMBL5658783 0.88 SCD (0.44) USP30SCDSCD5HCRTR1HCRTR2
SCHEMBL5658775 0.88 SCD (0.44) USP30SCDSCD5HCRTR1HCRTR2
SCHEMBL2896421 0.87 SCD5 (0.44) USP30SCDSCD5ALOX12LRRK2
SCHEMBL2896412 0.87 SCD5 (0.44) USP30SCDSCD5ALOX12LRRK2

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 9 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
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
WO-2007130823-A2 POLYCYCLIC HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF THE METABOTROPIC GLUTAMATE 5 RECEPTOR ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259923-A1 MGluR5 modulators IV ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259923-A1 MGluR5 modulators IV ASTRAZENECA AB (SE) 2007-11-08 US disclosed
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 USP30 3632/4885SCD 1643/4885SCD5 412/4885

“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.