SCHEMBL4095640

SCHEMBL4095640

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM5 P41594 11/20 0.32
SCD5 Q86SK9 1/20 0.32
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL4095643 1.00 HCRTR1 (0.36) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL4107744 0.89 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL4107748 0.89 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL8038357 0.88 HCRTR1 (0.35) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL4096627 0.84 HCRTR1 (0.44) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL4103687 0.82 MAOB (0.41) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL4229120 0.80
SCHEMBL13871099 0.79 USP30 (0.41) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL8038359 0.77 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL4101819 0.72 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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 HCRTR1 816/4885HCRTR2 386/4885NPC1 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.