SCHEMBL600041

SCHEMBL600041

C[C@@H]1CC[C@H](c2noc(-c3cc(Cl)c[nH]3)n2)CN1C(=O)c1ccnc(-c2ccncc2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.40
HCRTR2 O43614 16/20 0.40
USP30 Q70CQ3 2/20 0.37
GHSR Q92847 1/20 0.36
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
SCHEMBL30795348 1.00 HCRTR1 (0.40) HCRTR1HCRTR2USP30GHSRGRM5
SCHEMBL600344 0.92 GRM5 (0.40) HCRTR1HCRTR2USP30GHSRGRM5
SCHEMBL600288 0.90 GHSR (0.39) HCRTR1HCRTR2GHSR
SCHEMBL600856 0.90 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL600294 0.89 HCRTR2 (0.37) HCRTR1HCRTR2USP30
SCHEMBL602009 0.89 HCRTR2 (0.44) HCRTR1HCRTR2GHSR
SCHEMBL30795759 0.89 HCRTR2 (0.44) HCRTR1HCRTR2GHSR
SCHEMBL601150 0.87 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL600605 0.87 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL600589 0.86 PROKR1 (0.44) 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 7 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
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 102/4885USP30 1679/4885

“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.