SCHEMBL600383

SCHEMBL600383

C[C@@H]1CC[C@H](c2noc(-c3ccc(F)cn3)n2)CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.43
HCRTR2 O43614 14/20 0.43
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MCHR1 Q99705 1/20 0.39
P2RX7 Q99572 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL600403 0.89 HCRTR1 (0.45) HCRTR1HCRTR2MCHR1
SCHEMBL7881627 0.86 HCRTR2 (0.44) HCRTR1HCRTR2
SCHEMBL30795828 0.86 HCRTR2 (0.53) HCRTR1HCRTR2
SCHEMBL600384 0.86 HCRTR2 (0.53) HCRTR1HCRTR2
SCHEMBL599267 0.85 IDO1 (0.50) HCRTR1HCRTR2IDO1
SCHEMBL599266 0.85 IDO1 (0.50) HCRTR1HCRTR2IDO1
SCHEMBL599268 0.85 IDO1 (0.50) HCRTR1HCRTR2IDO1
SCHEMBL599435 0.83 HCRTR2 (0.43) HCRTR1HCRTR2MCHR1P2RX7
SCHEMBL30794977 0.83 HCRTR2 (0.43) HCRTR1HCRTR2MCHR1P2RX7
SCHEMBL7875690 0.82 HCRTR1 (0.44) HCRTR1HCRTR2MCHR1

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
EP-2421370-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2012-02-29 EP 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 HCRTR1 199/4885HCRTR2 102/4885SCD 2063/4885

“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.