SCHEMBL600601

SCHEMBL600601

C[C@@H]1CC[C@H](c2nc(-c3ccccn3)no2)CN1C(=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.55
PRCP P42785 3/20 0.53
NPC1 O15118 2/20 0.52
MAPK1 P28482 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
EPHX2 P34913 3/20 0.52
KCNH2 Q12809 2/20 0.52
CYP3A4 P08684 1/20 0.52
CACNA1C Q13936 1/20 0.52
CLPP Q16740 1/20 0.51
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL30794850 1.00 GRM5 (0.55) GRM5PRCPNPC1MAPK1RAB9A
SCHEMBL599756 0.88 GRM5 (0.53) GRM5CLPPMEN1KMT2AHCRTR1
SCHEMBL600363 0.86 GRM5 (0.68) GRM5MAPK1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL193610 0.84 GRM5 (0.73) GRM5NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL193609 0.84 GRM5 (0.73) GRM5NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL599528 0.80 GRM5 (0.50) GRM5SMN1; SMN2ALDH1A1CLPPMEN1
SCHEMBL7879774 0.77 GRM5 (0.49) GRM5CLPPMEN1KMT2AATM
SCHEMBL599414 0.77 GRM5 (0.49) GRM5CLPPMEN1KMT2AATM
SCHEMBL4143678 0.75 MEN1 (0.74) GRM5RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4143674 0.75 MEN1 (0.74) GRM5RAB9ASMN1; SMN2ALDH1A1CYP3A4

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 GRM5 1/4885PRCP 2313/4885NPC1 1265/4885

“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.