SCHEMBL600727

SCHEMBL600727

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.42
HSD11B1 P28845 4/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL600581 0.89 GRM5 (0.40) GRM5HSD11B1HCRTR1HCRTR2NPC1
SCHEMBL7880448 0.86 GRM5 (0.39) GRM5HSD11B1HCRTR1HCRTR2NPC1
SCHEMBL599414 0.86 GRM5 (0.49) GRM5HSD11B1
SCHEMBL30795726 0.86 HSD11B1 (0.52) GRM5HSD11B1NPC1RAB9A
SCHEMBL600170 0.86 HSD11B1 (0.52) GRM5HSD11B1NPC1RAB9A
SCHEMBL7879774 0.86 GRM5 (0.49) GRM5HSD11B1
SCHEMBL599809 0.85 GRM5 (0.47) GRM5HSD11B1HCRTR1HCRTR2NPC1
SCHEMBL601066 0.83 GRM5 (0.40) GRM5HSD11B1HCRTR1HCRTR2NPC1
SCHEMBL600389 0.83 GRM5 (0.40) GRM5HSD11B1HCRTR1HCRTR2
SCHEMBL30795442 0.83 GRM5 (0.40) GRM5HSD11B1HCRTR1HCRTR2NPC1

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 1 patent. 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

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 1/4885HSD11B1 3767/4885HCRTR1 199/4885

“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.