SCHEMBL601125

SCHEMBL601125

C[C@@H]1CC[C@H](c2nc(-c3ccc(F)cc3)co2)CN1C(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.57
TACR3 P29371 6/20 0.45
GRM5 P41594 1/20 0.45
CLPP Q16740 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.41
HCRTR1 O43613 1/20 0.40
GHSR Q92847 1/20 0.40

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
SCHEMBL3800868 0.89 HCRTR2 (0.56) HCRTR2TACR3GRM5CLPPHCRTR1
SCHEMBL600284 0.88 HCRTR2 (0.50) HCRTR2TACR3GRM5CLPPKCNH2
SCHEMBL30795354 0.88 HCRTR2 (0.50) HCRTR2TACR3GRM5CLPPKCNH2
SCHEMBL600264 0.86 HCRTR2 (0.52) HCRTR2MEN1KMT2AHCRTR1
SCHEMBL7882826 0.83 HCRTR2 (0.49) HCRTR2HCRTR1
SCHEMBL600363 0.81 GRM5 (0.68) GRM5CLPPMEN1KMT2A
SCHEMBL3584728 0.81 GRM5 (0.68) GRM5CLPPMEN1KMT2A
SCHEMBL3584731 0.81 GRM5 (0.68) GRM5CLPPMEN1KMT2A
SCHEMBL601360 0.76 HCRTR1 (0.49) HCRTR2TACR3GRM5CLPPHCRTR1
SCHEMBL599430 0.76 HCRTR1 (0.49) HCRTR2TACR3GRM5CLPPHCRTR1

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
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 US claimed
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
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
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 102/4885TACR3 538/4885GRM5 1/4885

“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.