SCHEMBL1009943

SCHEMBL1009943

CCCC1NCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.64
SLC22A1 O15245 1/20 0.61
OPRM1 P35372 9/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
OPRK1 P41145 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL27985631 0.90 PRCP (0.60) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL6429588 0.89 PRCP (0.59) PRCPSLC22A1OPRM1ALDH1A1GAA
Ammonia Solution, Strong SCHEMBL28831335 0.87 PRCP (0.57) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL10226238 0.86 PRCP (0.68) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL16455043 0.86 PRCP (0.68) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL29768301 0.86 PRCP (0.68) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL1011090 0.86 PRCP (0.68) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL5898800 0.83 PRCP (0.61) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL4340396 0.83 PRCP (0.61) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL6467470 0.82 PRCP (0.42) PRCPSLC22A1ALDH1A1

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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 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-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
EP-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP disclosed
US-4755218-A Reducing acetochlor injury to corn by applying with antidote MONSANTO COMPANY (US) 1988-07-05 US disclosed
EP-0230871-A2 Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes Monsanto Company (US) 1987-08-05 EP 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 (2 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 PRCP 2270/4885SLC22A1 2562/4885OPRM1 300/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 PRCP 2427/4885SLC22A1 3668/4885OPRM1 180/4885

“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.