SCHEMBL4096627

SCHEMBL4096627

Cc1cccc(-c2cc([C@H]3C[C@H]4C[C@H]4N3C(=O)O)no2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN1 P18031 2/20 0.38
GRM5 P41594 7/20 0.37
SCD5 Q86SK9 1/20 0.36
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
MAPT P10636 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
SCHEMBL4101819 0.87 SMN1; SMN2 (0.48) TP53SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13871099 0.86 USP30 (0.41) HCRTR1HCRTR2TP53SMN1; SMN2ALDH1A1
SCHEMBL4095643 0.84 HCRTR1 (0.36) HCRTR1HCRTR2TP53SMN1; SMN2ALDH1A1
SCHEMBL4095640 0.84 HCRTR1 (0.36) HCRTR1HCRTR2TP53SMN1; SMN2ALDH1A1
SCHEMBL4103687 0.84 MAOB (0.41) HCRTR1HCRTR2TP53SMN1; SMN2ALDH1A1
SCHEMBL8038357 0.83 HCRTR1 (0.35) HCRTR1HCRTR2TP53SMN1; SMN2ALDH1A1
SCHEMBL4229285 0.77 NPC1 (0.32) HCRTR1HCRTR2ALDH1A1HPGDNPC1
SCHEMBL13871093 0.75 USP30 (0.50) TP53SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4107748 0.73 SMN1; SMN2 (0.43) TP53SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4107744 0.73 SMN1; SMN2 (0.43) TP53SMN1; SMN2ALDH1A1NPC1RAB9A

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 386/4885TP53 4876/4885

“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.