SCHEMBL8028051

SCHEMBL8028051

C[C@H]1c2ccsc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.52
HHAT Q5VTY9 5/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LHCGR P22888 1/20 0.39

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
SCHEMBL1863899 1.00 DRD1 (0.52) DRD1HHATPOLBKMT2AMAPK1
SCHEMBL8026128 1.00 DRD1 (0.52) DRD1HHATPOLBKMT2AMAPK1
SCHEMBL20645754 0.85 HHAT (0.45) DRD1HHATPOLBMAPK1NPSR1
SCHEMBL20645693 0.83 HHAT (0.43) DRD1HHATPOLBMAPK1NPSR1
SCHEMBL21962743 0.82 HHAT (0.43) DRD1HHATPOLBMAPK1NPSR1
SCHEMBL20912495 0.81 HHAT (0.70) HHATPOLBMAPK1NPSR1LHCGR
SCHEMBL29970949 0.80 DRD1 (0.59) DRD1HHATKMT2AMAPK1NPSR1
SCHEMBL21236297 0.79 UCHL1 (0.36) MAPK1NPSR1
SCHEMBL20912497 0.78 LHCGR (0.57) HHATPOLBLHCGR
SCHEMBL22688218 0.78 NR1H2 (0.35) KMT2ANPSR1

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
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 US disclosed
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 US disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015270-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM3, GRM1 DRD1 112/4885HHAT 3727/4885POLB 4317/4885

“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.