SCHEMBL600284

SCHEMBL600284

C[C@@H]1CC[C@H](c2nc(-c3ccc(F)cn3)co2)CN1C(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.50
GRM5 P41594 2/20 0.41
MCHR1 Q99705 2/20 0.40
TACR3 P29371 3/20 0.39
KCNH2 Q12809 1/20 0.38
CLPP Q16740 1/20 0.38
HCRTR1 O43613 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
SCHEMBL30795354 1.00 HCRTR2 (0.50) HCRTR2GRM5MCHR1TACR3KCNH2
SCHEMBL601149 0.89 HCRTR2 (0.48) HCRTR2MCHR1HCRTR1
SCHEMBL601125 0.88 HCRTR2 (0.57) HCRTR2GRM5TACR3KCNH2CLPP
SCHEMBL599756 0.85 GRM5 (0.53) HCRTR2GRM5CLPPHCRTR1
SCHEMBL7882881 0.83 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL3585856 0.83 GRM5 (0.58) GRM5CLPP
SCHEMBL3585860 0.83 GRM5 (0.58) GRM5CLPP
SCHEMBL600403 0.79 HCRTR1 (0.45) HCRTR2GRM5MCHR1TACR3HCRTR1
SCHEMBL3800868 0.77 HCRTR2 (0.56) HCRTR2GRM5MCHR1TACR3CLPP
SCHEMBL600264 0.74 HCRTR2 (0.52) HCRTR2MCHR1HCRTR1

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 5 patents. 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 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 HCRTR2 102/4885GRM5 1/4885MCHR1 517/4885

“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.