SCHEMBL1009166

SCHEMBL1009166

CCN(CC)c1ccc2c(c1)CCNC2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 8/20 0.47
DRD2 P14416 2/20 0.47
TSHR P16473 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP2C9 P11712 1/20 0.47
DRD3 P35462 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL1010110 0.88 MAOA (0.47) ALDH1A1HSD17B10GAAKDM4EMAPT
SCHEMBL18616784 0.76 MAOA (0.51) ALDH1A1HSD17B10GAAKDM4EMAPT
SCHEMBL22680299 0.76 MAOA (0.54) ALDH1A1HSD17B10KDM4EMAOADRD2
SCHEMBL22680298 0.76 MAOA (0.54) ALDH1A1HSD17B10KDM4EMAOADRD2
SCHEMBL626535 0.76 MAOA (0.54) ALDH1A1HSD17B10KDM4EMAOADRD2
SCHEMBL21335646 0.74 MAOA (0.49) ALDH1A1HSD17B10GAAKDM4EMAPT
SCHEMBL7820935 0.74 MAOA (0.56) ALDH1A1HSD17B10KDM4EMAOADRD2
SCHEMBL21959060 0.72 MAOA (0.64) ALDH1A1HSD17B10KDM4EMAOADRD2
SCHEMBL6159366 0.72 HTR2A (0.61) ALDH1A1HSD17B10KDM4EMAOADRD2
SCHEMBL4166735 0.72 MAOA (0.54) ALDH1A1HSD17B10KDM4EMAOADRD2

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 9 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

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 ALDH1A1 2895/4885HSD17B10 2220/4885GAA 4755/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 ALDH1A1 3094/4885HSD17B10 2614/4885GAA 4741/4885

“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.