SCHEMBL4101819

SCHEMBL4101819

O=C(O)N1[C@@H](c2cc(-c3cccc(Cl)c3)on2)C[C@H]2C[C@H]21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
TP53 P04637 3/20 0.47
THRB P10828 2/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL4096627 0.87 HCRTR1 (0.44) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL13871093 0.85 USP30 (0.50) SMN1; SMN2RAB9ANPC1TP53THRB
SCHEMBL4111865 0.83 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1TP53THRB
SCHEMBL4107744 0.83 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1TP53THRB
SCHEMBL4107748 0.83 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1TP53THRB
SCHEMBL8038359 0.82 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1TP53THRB
SCHEMBL4229285 0.81 NPC1 (0.32) RAB9ANPC1ALDH1A1
SCHEMBL4101846 0.75 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1TP53THRB
SCHEMBL13871099 0.74 USP30 (0.41) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL4106727 0.72 NPC1 (0.41) SMN1; SMN2RAB9ANPC1TP53THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE 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-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 SMN1; SMN2 2221/4885RAB9A 1196/4885NPC1 2412/4885

“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.