SCHEMBL8038359

SCHEMBL8038359

C/N=C(\SC)N1[C@@H](c2cc(-c3cccc(Cl)c3)on2)C[C@H]2C[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP30 Q70CQ3 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 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
SCHEMBL8038357 0.89 HCRTR1 (0.35) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL4107748 0.88 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL4107744 0.88 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL4234730 0.83
SCHEMBL4101819 0.82 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL4111865 0.80 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL2897705 0.80 USP30 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL8075273 0.80 USP30 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL4146420 0.80 USP30 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL2897710 0.80 USP30 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009054791-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
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.