SCHEMBL4099822

SCHEMBL4099822

Cc1cccc(-c2cc([C@H]3C[C@H]4C[C@H]4N3)no2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.37
GRM5 P41594 2/20 0.36
HTR7 P34969 1/20 0.36
MAOB P27338 2/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
CASP3 P42574 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
SENP8 Q96LD8 1/20 0.36
IDO1 P14902 1/20 0.34
METAP2 P50579 1/20 0.34
KDM1A O60341 1/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHEK1 O14757 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL4101794 0.85 SMN1; SMN2 (0.43) HTR7RAB9ANPC1TP53MAPT
SCHEMBL4274720 0.85 SMN1; SMN2 (0.43) HTR7RAB9ANPC1TP53MAPT
SCHEMBL2898404 0.76 CASP3 (0.41) NISCHGRM5HTR7CASP3SENP7
SCHEMBL2898408 0.76 CASP3 (0.41) NISCHGRM5HTR7CASP3SENP7
SCHEMBL15805892 0.69 RAB9A (0.60) GRM5MAOBRAB9ANPC1CASP3
SCHEMBL12266910 0.68 CSF1R (0.49) RAB9ANPC1CASP3SENP7SENP6
SCHEMBL4096627 0.68 HCRTR1 (0.44) GRM5RAB9ANPC1TP53MAPT
SCHEMBL13921154 0.68 NPC1 (0.73) GRM5MAOBRAB9ANPC1CASP3
SCHEMBL17922502 0.66 NOTUM (0.47) HTR7RAB9ANPC1CASP3SENP7
SCHEMBL4104166 0.66 RAB9A (0.46) GRM5HTR7RAB9ANPC1CASP3

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-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
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
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 NISCH 3364/4885GRM5 1/4885HTR7 248/4885

“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.