SCHEMBL1748901

SCHEMBL1748901

CC1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
USP2 O75604 1/20 0.53
CHRNA10 Q9GZZ6 1/20 0.53
CHRNA9 Q9UGM1 1/20 0.53
HRH3 Q9Y5N1 7/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
CHEK1 O14757 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HSD11B1 P28845 1/20 0.43
KCNH2 Q12809 1/20 0.42
CSF1R P07333 1/20 0.42
CYP3A4 P08684 1/20 0.41
EGLN2 Q96KS0 1/20 0.41

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
SCHEMBL13558248 0.89 HRH3 (0.50) KDM4ETP53USP2CHRNA10CHRNA9
SCHEMBL20346556 0.83 KDM4E (0.65) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL2384959 0.82 KDM4E (0.80) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL2455962 0.81 KDM4E (0.58) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL1238733 0.81 KDM4E (0.58) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL22848341 0.81 KDM4E (0.50) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL19570981 0.81 HRH3 (0.55) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL20346944 0.81 KDM4E (0.53) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL12578204 0.81 KDM4E (0.53) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL10243310 0.81 CHRNA10 (0.56) KDM4ETP53CHRNA10CHRNA9HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149419-A Oxadiazole drug molecule for medical nursing sterilization and disinfection and preparation method and application thereof 河南科技大学第一附属医院 2022-03-08 CN claimed
CN-114149419-A Oxadiazole drug molecule for medical nursing sterilization and disinfection and preparation method and application thereof 河南科技大学第一附属医院 2022-03-08 CN disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
CN-100506792-C Substituted N-aryl heterocycles, method for the production thereof and their use as medicaments AVENTIS PHARMA GMBH (DE) 2009-07-01 CN disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
CN-1774418-A Substituted N-arylheterocycles, method for production and use thereof as medicaments AVENTIS PHARMA GMBH (DE) 2006-05-17 CN disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 KDM4E 1813/4885TP53 2509/4885USP2 4022/4885
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 KDM4E 2966/4885TP53 4123/4885USP2 3988/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 KDM4E 1813/4885TP53 2509/4885USP2 4022/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 KDM4E 2896/4885TP53 4172/4885USP2 3703/4885

“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.