SCHEMBL1011572

SCHEMBL1011572

Cc1n[nH]cc1-c1cccc2c1C(C)NCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
PARP1 P09874 1/20 0.38
HTR2C P28335 4/20 0.36
HTR1A P08908 2/20 0.34
DRD3 P35462 1/20 0.34
MAOA P21397 2/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 3/20 0.32
PTPRCAP Q14761 1/20 0.32
PRCP P42785 1/20 0.32

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
SCHEMBL1009030 0.78 MAOA (0.33) DRD2PARP1HTR2CDRD3MAOA
SCHEMBL1011217 0.77 PARP1 (0.39) DRD2PARP1HTR2CDRD3DRD1
SCHEMBL8026602 0.76 DRD2 (0.47) DRD2HTR1ADRD1
SCHEMBL1011538 0.75 MAOA (0.43) DRD2DRD3MAOATSHR
SCHEMBL1009909 0.74 DRD2 (0.43) DRD2PARP1HTR2CHTR1ADRD3
SCHEMBL1013445 0.73 MEN1 (0.46) PARP1
SCHEMBL19684816 0.73 HTR2C (0.42) DRD2PARP1HTR2CDRD3MAOA
SCHEMBL7818489 0.73 HTR2C (0.42) DRD2PARP1HTR2CDRD3MAOA
SCHEMBL19684822 0.73 HTR2C (0.42) DRD2PARP1HTR2CDRD3MAOA
SCHEMBL1011843 0.72 MAOA (0.43) DRD2HTR2CHTR1ADRD3MAOA

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 DRD2 69/4885PARP1 4127/4885HTR2C 50/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 DRD2 133/4885PARP1 3821/4885HTR2C 65/4885

“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.