SCHEMBL600376

SCHEMBL600376

C[C@@H]1CC[C@H](c2noc(-c3cc(Cl)c[nH]3)n2)CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.38
HCRTR2 O43614 14/20 0.38
HSD11B1 P28845 1/20 0.38
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL10152590 0.86 USP30 (0.42) HCRTR1HCRTR2
SCHEMBL599265 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL601294 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL600675 0.83 HCRTR1 (0.38) HCRTR1HCRTR2HSD11B1FABP4FABP5
SCHEMBL600266 0.83 PDK2 (0.40) HCRTR1HCRTR2
SCHEMBL5128026 0.82 HSD11B1 (0.48) HSD11B1
SCHEMBL601067 0.82 HCRTR2 (0.45) HCRTR1HCRTR2
SCHEMBL601150 0.82 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL599766 0.82 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL600605 0.82 HCRTR1 (0.41) HCRTR1HCRTR2

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 HCRTR1 199/4885HCRTR2 102/4885HSD11B1 3767/4885

“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.