SCHEMBL1868115

SCHEMBL1868115

CC1(C)Cc2sccc2CN1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 3/20 0.30
DRD3 P35462 3/20 0.30
TAAR1 Q96RJ0 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30

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
SCHEMBL6440740 0.86 PNMT (0.39) PNMTALDH1A1MAPT
SCHEMBL1011335 0.70 ALDH1A1 (0.52) PNMTALDH1A1MAPT
SCHEMBL19534811 0.67 CES1 (0.37) PNMTDRD2DRD3TAAR1DRD1
Hydrochloric Acid SCHEMBL31564468 0.64 TAAR1 (0.35) PNMTTAAR1
SCHEMBL18300330 0.64 TAAR1 (0.35) PNMTALDH1A1TAAR1
SCHEMBL2259507 0.64 PNMT (0.42) PNMTTAAR1
SCHEMBL8023204 0.64 DRD2 (0.35) PNMTALDH1A1MAPTDRD2DRD3
SCHEMBL6434186 0.63 HTT (0.46) ALDH1A1
SCHEMBL20558326 0.63 MAPT (0.37) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL31564071 0.63 DRD2 (0.34) PNMTDRD2DRD3TAAR1DRD1

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 12 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
EP-2054421-B1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2010-11-17 EP 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
EP-2054421-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP 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
EP-1288203-B1 Cyclic nitrones and pharmaceutical compositions containing them AVENTIS PHARMA INC (US) 2005-04-20 EP disclosed
EP-1288203-A1 Cyclic nitrones and pharmaceutical compositions containing them Aventis Pharmaceuticals Inc. (US) 2003-03-05 EP disclosed
US-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 US disclosed
EP-0863878-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
WO-1997010218-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1997-03-20 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 PNMT 1648/4885ALDH1A1 4053/4885MAPT 3320/4885

“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.