SCHEMBL3044569

SCHEMBL3044569

c1ccc(CCC2CCNC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.56
HRH3 Q9Y5N1 1/20 0.48
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3443727 0.89 KMT2A (0.57) HRH3KMT2A
SCHEMBL3443417 0.89 KMT2A (0.57) HRH3KMT2A
SCHEMBL3443170 0.89 KMT2A (0.57) HRH3KMT2A
SCHEMBL2241250 0.89 GBA1 (0.66) GBA1KDM1AMAOB
SCHEMBL27370800 0.88 KMT2A (0.52) HRH3KMT2A
Hydrochloric Acid SCHEMBL6642879 0.88 KMT2A (0.56) HRH3KMT2A
Hydrochloric Acid SCHEMBL1532936 0.87 GBA1 (0.63) GBA1MAOB
SCHEMBL9093168 0.82 HRH3 (0.49) HRH3MAOB
SCHEMBL13505378 0.82 HRH3 (0.49) HRH3MAOB
SCHEMBL4892499 0.81 GBA1 (0.78) GBA1HRH3KDM1AMAOB

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP claimed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO claimed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO claimed
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
CN-104169258-B novel heterocyclic carboxamides as modulators of kinase activity 默克专利有限公司 2017-03-01 CN disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20060030557-A1 Substituted pyridines having antiangiogenic activity HAVIV FORTUNA 2006-02-09 US disclosed
WO-2006015150-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF CYLENE PHARMACEUTICALS (US) 2006-02-09 WO disclosed
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof CYLENE PHARMACEUTICALS 2006-02-02 US disclosed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO disclosed
EP-1494672-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2005-01-12 EP disclosed
US-20040014744-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2004-01-22 US disclosed
WO-2003086398-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-10-23 WO disclosed
US-20030195195-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2003-10-16 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 (6 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-20040014744-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR GBA1 2871/4885HRH3 2841/4885KDM1A 856/4885
US-20030195195-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR GBA1 2871/4885HRH3 2841/4885KDM1A 856/4885
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof PIN1, HPD, DHPS GBA1 2645/4885HRH3 1102/4885KDM1A 2437/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 GBA1 2151/4885HRH3 1089/4885KDM1A 300/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 GBA1 1783/4885HRH3 966/4885KDM1A 263/4885
US-20060030557-A1 Substituted pyridines having antiangiogenic activity FLT4, KDR, FLT1 GBA1 2943/4885HRH3 2345/4885KDM1A 1825/4885

“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.