SCHEMBL1012836

SCHEMBL1012836

COc1ncc(-c2ccc3c(c2)CCNC3C)c(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.49
QPCTL Q9NXS2 1/20 0.49
PPARD Q03181 1/20 0.46
MAOA P21397 8/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.38
DRD2 P14416 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD3 P35462 1/20 0.37
HIF1A Q16665 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1009272 0.91 QPCT (0.49) QPCTQPCTLPPARDMAOATSHR
SCHEMBL1011669 0.81 MAOA (0.46) MAOATSHRHSD17B10ALDH1A1CYP2D6
SCHEMBL1010812 0.79 MAOA (0.46) MAOATSHRHSD17B10ALDH1A1CYP2D6
SCHEMBL8032003 0.79 PPARD (0.46) QPCTQPCTLPPARDMAOAALDH1A1
SCHEMBL1011096 0.78 QPCT (0.37) QPCTQPCTLPPARDMAOATSHR
SCHEMBL14172500 0.75 BCHE (0.60) KDM4E
SCHEMBL1012754 0.75 MAOA (0.49) MAOATSHRHSD17B10ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL4490001 0.74 BCHE (0.59) KDM4E
SCHEMBL1009757 0.73 MAOA (0.46) MAOATSHRHSD17B10ALDH1A1CYP2D6
SCHEMBL1009921 0.72 MAOA (0.46) MAOATSHRHSD17B10ALDH1A1CYP2D6

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 19 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
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
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
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-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-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
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
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
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
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

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 QPCT 818/4885QPCTL 2443/4885PPARD 795/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 QPCT 780/4885QPCTL 2635/4885PPARD 608/4885

“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.