SCHEMBL1648356

SCHEMBL1648356

CC(=O)Oc1ccc2c(c1)CNCC2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.53
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49

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 SCHEMBL27835837 0.98 PNMT (0.51) PNMTADRA2AADRA2BADRA2C
SCHEMBL27919692 0.94 ASIC3 (0.47) PNMT
SCHEMBL3252072 0.89 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL10798207 0.87 ACHE (0.47)
Bromide SCHEMBL9204144 0.85 ACHE (0.46)
Hydrochloric Acid SCHEMBL27919833 0.85 ACHE (0.46)
SCHEMBL21612906 0.85 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL6952795 0.81 ASIC3 (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL8234177 0.81 PNMT (0.51) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1266520 0.79 ITGB3 (0.51) PNMTADRA2AADRA2BADRA2C

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501036-B Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA 2013-04-17 CN claimed
WO-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed
CN-101501036-B Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA 2013-04-17 CN disclosed
US-20110172416-A1 AMIDINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2011-07-14 US disclosed
EP-2311810-A1 AMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2011-04-20 EP disclosed
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 US disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
CN-1522253-A Novel heterocyclic derivatives and medicinal use thereof ����ҩƷ��ҵ��ʽ���� 2004-08-18 CN disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed
EP-0846115-A1 NEW CYCLIC GUANIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS Roche Diagnostics GmbH (DE) 1998-06-10 EP disclosed
WO-1997008165-A1 NEW CYCLIC GUANIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1997-03-06 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 (3 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-20110172416-A1 AMIDINE DERIVATIVE SERPINC1, F12, F11 PNMT 4666/4885ADRA2A 3237/4885ADRA2B 2829/4885
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS PCCA, PPARA, PTGES PNMT 54/4885ADRA2A 137/4885ADRA2B 439/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 PNMT 4121/4885ADRA2A 1070/4885ADRA2B 930/4885

“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.