SCHEMBL600170

SCHEMBL600170

C[C@@H]1CC[C@H](c2nc(-c3cc(Cl)c[nH]3)no2)CN1C(=O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GRM5 P41594 18/20 0.48

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
SCHEMBL30795726 1.00 HSD11B1 (0.52) HSD11B1NPC1RAB9AGRM5
SCHEMBL599809 0.88 GRM5 (0.47) HSD11B1NPC1RAB9AGRM5
SCHEMBL599414 0.87 GRM5 (0.49) HSD11B1GRM5
SCHEMBL7879774 0.87 GRM5 (0.49) HSD11B1GRM5
SCHEMBL600581 0.87 GRM5 (0.40) HSD11B1NPC1RAB9AGRM5
SCHEMBL30795442 0.86 GRM5 (0.40) HSD11B1NPC1RAB9AGRM5
SCHEMBL601066 0.86 GRM5 (0.40) HSD11B1NPC1RAB9AGRM5
SCHEMBL600727 0.86 GRM5 (0.42) HSD11B1NPC1RAB9AGRM5
SCHEMBL600492 0.85 PROKR1 (0.42) HSD11B1NPC1RAB9AGRM5
SCHEMBL600389 0.84 GRM5 (0.40) 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 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 HSD11B1 3767/4885NPC1 1265/4885RAB9A 1643/4885

“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.