SCHEMBL7880448

SCHEMBL7880448

C[C@@H]1CC[C@H](c2nc(-c3cc(Cl)c[nH]3)no2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.39
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
HSD11B1 P28845 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL600727 0.86 GRM5 (0.42) GRM5HCRTR1HCRTR2HSD11B1NPC1
SCHEMBL1974274 0.85 HSD11B1 (0.47) GRM5HSD11B1NPC1RAB9A
SCHEMBL1974271 0.85 HSD11B1 (0.47) GRM5HSD11B1NPC1RAB9A
SCHEMBL600581 0.84 GRM5 (0.40) GRM5HCRTR1HCRTR2HSD11B1NPC1
SCHEMBL10152590 0.83 USP30 (0.42) GRM5HCRTR1HCRTR2
SCHEMBL30795726 0.81 HSD11B1 (0.52) GRM5HSD11B1NPC1RAB9A
SCHEMBL600170 0.81 HSD11B1 (0.52) GRM5HSD11B1NPC1RAB9A
SCHEMBL7879774 0.81 GRM5 (0.49) GRM5HSD11B1
SCHEMBL599414 0.81 GRM5 (0.49) GRM5HSD11B1
SCHEMBL599809 0.80 GRM5 (0.47) GRM5HCRTR1HCRTR2HSD11B1NPC1

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
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 US disclosed
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 US disclosed
WO-2010124055-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO 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-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS GRM5, GRIK5, GRM2 GRM5 1/4885HCRTR1 199/4885HCRTR2 102/4885

“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.