SCHEMBL600675

SCHEMBL600675

Cc1ncsc1C(=O)N1C[C@@H](c2noc(-c3cc(Cl)c[nH]3)n2)CC[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.38
HCRTR2 O43614 16/20 0.38
PIK3CD O00329 1/20 0.38
JAK1 P23458 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL600376 0.83 HCRTR1 (0.38) HCRTR1HCRTR2FABP4FABP5HSD11B1
SCHEMBL599265 0.80 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL601294 0.80 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL600820 0.79 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL599766 0.79 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL600605 0.79 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL601150 0.79 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL600266 0.78 PDK2 (0.40) HCRTR1HCRTR2
SCHEMBL10152590 0.78 USP30 (0.42) HCRTR1HCRTR2
SCHEMBL600589 0.78 PROKR1 (0.44) HCRTR1HCRTR2

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 8 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
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO 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 HCRTR1 199/4885HCRTR2 102/4885PIK3CD 712/4885

“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.