SCHEMBL1012989

SCHEMBL1012989

CC1NCCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PNMT P11086 6/20 0.51
ADRA2A P08913 4/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
TBXA2R P21731 1/20 0.48
HTR1A P08908 1/20 0.48
MAOA P21397 4/20 0.47
DRD2 P14416 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2C9 P11712 1/20 0.47
DRD3 P35462 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD4 P21917 1/20 0.47
CHRNA7 P36544 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 1/20 0.44

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
SCHEMBL1013537 0.88 ALDH1A1 (0.52) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
Hydrochloric Acid SCHEMBL7510081 0.87 ALDH1A1 (0.51) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL5448043 0.78 TSHR (0.55) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL11763390 0.78 PNMT (0.45) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL8210443 0.74 ALDH1A1 (0.48) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL1012723 0.74 PNMT (0.53) ALDH1A1PNMTMAOADRD2TSHR
SCHEMBL7820935 0.74 MAOA (0.56) ALDH1A1MAOADRD2TSHRKDM4E
SCHEMBL1010684 0.73 TDP1 (0.41) ALDH1A1L3MBTL1PNMTTSHRKDM4E
SCHEMBL22680298 0.72 MAOA (0.54) ALDH1A1MAOADRD2TSHRKDM4E
SCHEMBL21959060 0.72 MAOA (0.64) ALDH1A1MAOADRD2TSHRKDM4E

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 2895/4885L3MBTL1 1251/4885PNMT 481/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 ALDH1A1 3094/4885L3MBTL1 2526/4885PNMT 824/4885

“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.