SCHEMBL1013537

SCHEMBL1013537

CC1NCCc2ccc([N+](=O)[O-])cc21

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
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
TBXA2R P21731 1/20 0.45
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNB2 P17787 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
Hydrochloric Acid SCHEMBL7510081 0.98 ALDH1A1 (0.51) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL1012989 0.88 ALDH1A1 (0.52) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL13012422 0.81 HTR2C (0.57) PNMTADRA2AADRA2BADRA2CHTR1A
SCHEMBL13012423 0.81 HTR2C (0.57) PNMTADRA2AADRA2BADRA2CHTR1A
Hydrochloric Acid SCHEMBL7511040 0.80 TBXA2R (0.53) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL27758637 0.79 PNMT (0.49) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL5445373 0.79 TSHR (0.56) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL8605395 0.78 PRCP (0.56) ALDH1A1L3MBTL1PNMTADRA2AHTR1A
Hydrochloric Acid SCHEMBL7510737 0.78 TBXA2R (0.51) ALDH1A1L3MBTL1PNMTADRA2AADRA2B
SCHEMBL3604041 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1PNMTADRA2AADRA2B

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 18 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-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
EP-1129076-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-05 EP disclosed
US-6140322-A Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 2000-10-31 US disclosed
WO-2000029380-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2000-05-25 WO disclosed
US-5981521-A USEFUL FOR TREATING VARIOUS HORMONE DEPENDENT DISEASES, INCLUDING PROSTATE CANCER, ENDOMETRIOSIS, UTERINE FIBROIDS, PRECOCIOUS PUBERTY, BENIGN PROSTATE HYPERTROPY AND IN VITRO FERTILIZATION ABBOTT LABORATORIES (US) 1999-11-09 US disclosed
US-5929085-A Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 1999-07-27 US disclosed
US-5789595-A ANTICOAGULANTS TERUMO KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
CN-1167485-A Tetrahydroisoquinoline derivative and medicinal preparation containing the same TERUMO CORP (JP) 1997-12-10 CN disclosed
EP-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 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 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.