SCHEMBL600820

SCHEMBL600820

Cc1ncsc1C(=O)N1C[C@@H](c2noc(-c3cccn3Cl)n2)CC[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.42
HCRTR2 O43614 20/20 0.42

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
SCHEMBL600675 0.79 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL601360 0.66 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL599430 0.66 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL22055797 0.65 PIK3CD (0.51)
SCHEMBL600403 0.65 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL600480 0.65 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL30795402 0.65 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL7878360 0.65 HCRTR2 (0.42) HCRTR1HCRTR2
SCHEMBL599401 0.65 GRM5 (0.46) HCRTR1HCRTR2
SCHEMBL7875690 0.65 HCRTR1 (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 1 patent. 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 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 102/4885

“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.