SCHEMBL3975677

SCHEMBL3975677

CN(C)c1ccc(-c2nnc(N3CCC[C@@H]3c3cc(-c4cccc(Cl)c4)on3)n2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 8/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
CXCR1 P25024 1/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 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
SCHEMBL3978138 0.89 SMN1; SMN2 (0.39) USP30SMN1; SMN2GRM5NPC1RAB9A
SCHEMBL5440803 0.86 GRM5 (0.41) USP30SMN1; SMN2GRM5NPC1RAB9A
SCHEMBL5439299 0.85 CNR2 (0.50) SMN1; SMN2GRM5NPC1RAB9A
SCHEMBL2890698 0.85 SMN1; SMN2 (0.40) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2890710 0.85 SMN1; SMN2 (0.40) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2899180 0.85 SMN1; SMN2 (0.41) USP30SMN1; SMN2GRM5NPC1RAB9A
SCHEMBL5433709 0.84 KCNH2 (0.42) USP30SMN1; SMN2GRM5NPC1RAB9A
SCHEMBL4060315 0.84 SMN1; SMN2 (0.40) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2896753 0.83 GRM5 (0.42) USP30SMN1; SMN2GRM5NPC1RAB9A
SCHEMBL2896759 0.83 GRM5 (0.42) USP30SMN1; SMN2GRM5NPC1RAB9A

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-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054792-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111823-A1 AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM2 USP30 3826/4885SMN1; SMN2 1583/4885GRM5 1/4885

“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.