SCHEMBL1011095

SCHEMBL1011095

COc1cc2c(cc1OC)CC(C)NC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.51
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
MAOA P21397 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.43

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 SCHEMBL5708777 0.98 PNMT (0.50) PNMTADRA2AADRA2BADRA2CMAOA
SCHEMBL27042597 0.88 PNMT (0.53) PNMTADRA2AADRA2BADRA2C
SCHEMBL13072958 0.83 PNMT (0.62) PNMTADRA2AADRA2BADRA2C
SCHEMBL3054428 0.82 CHRNA7 (0.51)
SCHEMBL27042786 0.77 AKR1C3 (0.43) PNMTADRA2AADRA2BADRA2C
SCHEMBL16303420 0.77 PNMT (0.51) PNMTADRA2AADRA2BADRA2CACHE
SCHEMBL12891538 0.74 CYP3A4 (0.56) MAOAALDH1A1CYP2D6CYP2C9ALOX15
SCHEMBL4464347 0.74 EGLN1 (0.44) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
SCHEMBL1202600 0.74 EGLN1 (0.44) ALDH1A1CYP2D6CYP2C9ALOX15MAPK1
Hydrochloric Acid SCHEMBL7221540 0.73 EGLN1 (0.43) MAOAALDH1A1CYP3A4MAPTACHE

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-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
EP-1940819-A1 PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-07-09 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
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO disclosed
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 US disclosed
EP-1353921-A1 TETRAHYDROPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CELL PROLIFERATION INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-22 EP disclosed
WO-2002051842-A1 TETRAHYDROPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CELL PROLIFERATION INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 WO disclosed
EP-1129076-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-05 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A PNMT 671/4885ADRA2A 1301/4885ADRA2B 1507/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 PNMT 481/4885ADRA2A 1283/4885ADRA2B 1036/4885
US-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 PNMT 323/4885ADRA2A 7/4885ADRA2B 13/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 PNMT 824/4885ADRA2A 965/4885ADRA2B 632/4885

“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.