SCHEMBL600031

SCHEMBL600031

COc1cc(C(=O)N2C[C@@H](c3noc(-c4cc(C)c[nH]4)n3)CC[C@H]2C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.39
HCRTR2 O43614 17/20 0.39
TACR3 P29371 1/20 0.39
GRM5 P41594 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
SCHEMBL30795742 1.00 HCRTR1 (0.39) HCRTR1HCRTR2TACR3GRM5
SCHEMBL602090 0.87 HCRTR1 (0.45) HCRTR1HCRTR2TACR3GRM5
SCHEMBL599416 0.87 HCRTR1 (0.45) HCRTR1HCRTR2TACR3GRM5
SCHEMBL599306 0.84 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL30796389 0.84 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL600364 0.82 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL600395 0.82 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL600577 0.81 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL601294 0.80 HCRTR1 (0.44) HCRTR1HCRTR2TACR3GRM5
SCHEMBL599265 0.80 HCRTR1 (0.44) HCRTR1HCRTR2TACR3GRM5

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 6 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 claimed
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 US claimed
WO-2010124055-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO claimed
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
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 102/4885TACR3 538/4885

“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.