SCHEMBL600492

SCHEMBL600492

COc1cc(C(=O)N2C[C@@H](c3nc(-c4cc(Cl)c[nH]4)no3)CC[C@H]2C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.42
HCRTR1 O43613 11/20 0.40
HCRTR2 O43614 11/20 0.40
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM5 P41594 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL601066 0.88 GRM5 (0.40) HCRTR1HCRTR2HSD11B1NPC1RAB9A
SCHEMBL30795442 0.88 GRM5 (0.40) HCRTR1HCRTR2HSD11B1NPC1RAB9A
SCHEMBL600589 0.86 PROKR1 (0.44) PROKR1HCRTR1HCRTR2
SCHEMBL600396 0.85 HCRTR2 (0.38) HCRTR1HCRTR2GRM5TSHR
SCHEMBL600600 0.85 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL30795726 0.85 HSD11B1 (0.52) HSD11B1NPC1RAB9AGRM5
SCHEMBL600170 0.85 HSD11B1 (0.52) HSD11B1NPC1RAB9AGRM5
SCHEMBL599809 0.84 GRM5 (0.47) HCRTR1HCRTR2HSD11B1NPC1RAB9A
SCHEMBL7879774 0.83 GRM5 (0.49) HSD11B1GRM5
SCHEMBL599414 0.83 GRM5 (0.49) HSD11B1GRM5

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 PROKR1 2964/4885HCRTR1 199/4885HCRTR2 102/4885

“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.