SCHEMBL5628073

SCHEMBL5628073

Cc1cc(-c2nnc(N3CCCCC3c3cc(-c4cccc(Cl)c4)on3)n2C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
GRM5 P41594 7/20 0.37
ALDH1A1 P00352 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL5450497 0.91 KCNH2 (0.42) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL5433709 0.88 KCNH2 (0.42) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL5432422 0.88 GRM2 (0.40) SMN1; SMN2GRM2NPC1RAB9ATP53
SCHEMBL4060315 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL2890710 0.86 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL2890698 0.86 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATP53THRB
SCHEMBL4347350 0.85 USP30 (0.44) GRM5HCRTR1HCRTR2
SCHEMBL4347341 0.85 USP30 (0.44) GRM5HCRTR1HCRTR2
SCHEMBL4073239 0.85 GRM5 (0.51) SMN1; SMN2GRM5HCRTR1HCRTR2
SCHEMBL5440803 0.85 GRM5 (0.41) SMN1; SMN2NPC1RAB9ATP53THRB

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
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US claimed
WO-2007130821-A2 MGLUR5 MODULATORS II ASTRAZENECA AB (SE) 2007-11-15 WO 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
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 SMN1; SMN2 1076/4885GRM2 2/4885NPC1 969/4885

“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.