SCHEMBL1185641

SCHEMBL1185641

CCN(CC)CCNC(=O)c1ccc(N)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
ADRA2A P08913 3/20 0.67
CYP2D6 P10635 3/20 0.67
DRD3 P35462 3/20 0.67
CYP1A2 P05177 2/20 0.67
SLC22A1 O15245 2/20 0.67
ALDH1A1 P00352 2/20 0.67
ACHE P22303 2/20 0.67
DRD2 P14416 2/20 0.67
HTR2B P41595 2/20 0.67
KCNH2 Q12809 2/20 0.67
HTR3E A5X5Y0 1/20 0.67
HTR3B O95264 1/20 0.67
MPO P05164 1/20 0.67
ADRA2C P18825 1/20 0.67
DRD4 P21917 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HTR3A P46098 1/20 0.67
HTR4 Q13639 1/20 0.67

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
Acetic Acid SCHEMBL5925506 0.96 ADRA2A (0.63) LMNAADRA2ACYP2D6DRD3CYP1A2
SCHEMBL3762394 0.89 ALDH1A1 (0.54) LMNAADRA2ACYP2D6DRD3CYP1A2
SCHEMBL1186372 0.89 MCHR1 (0.60) LMNAADRA2ACYP2D6DRD3CYP1A2
SCHEMBL1186889 0.88 CYP2D6 (0.57) LMNAADRA2ACYP2D6DRD3CYP1A2
SCHEMBL1186887 0.87 LMNA (0.53) LMNAADRA2ACYP2D6DRD3CYP1A2
SCHEMBL6108941 0.87 MCHR1 (0.57) LMNAADRA2ACYP2D6DRD3CYP1A2
SCHEMBL3414717 0.85 MCHR1 (0.65) LMNAADRA2ACYP2D6DRD3CYP1A2
SCHEMBL11755479 0.84 ALDH1A1 (0.70) LMNAADRA2ACYP2D6DRD3CYP1A2
SCHEMBL3760672 0.84 ALDH1A1 (0.50) LMNAADRA2ACYP2D6DRD3CYP1A2
Dimethylamine SCHEMBL6109558 0.83 ALDH1A1 (0.64) LMNAADRA2ACYP2D6DRD3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US claimed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 WO claimed
US-20110052492-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy FRIEBE MATTHIAS 2011-03-03 US disclosed
US-20110052492-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy FRIEBE MATTHIAS 2011-03-03 US disclosed
US-20110052492-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy FRIEBE MATTHIAS 2011-03-03 US disclosed
US-20110027179-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy FRIEBE MATTHIAS 2011-02-03 US disclosed
US-20110027179-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy FRIEBE MATTHIAS 2011-02-03 US disclosed
US-20110027179-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy FRIEBE MATTHIAS 2011-02-03 US disclosed
US-7850948-B2 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BAYER SCHERING PHARMA AG (DE) 2010-12-14 US disclosed
US-7850948-B2 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BAYER SCHERING PHARMA AG (DE) 2010-12-14 US disclosed
US-7850948-B2 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BAYER SCHERING PHARMA AG (DE) 2010-12-14 US disclosed
EP-1722827-A2 RADIOHALOGENATED BENZAMIDE DERIVATIVES AND THEIR USE IN TUMOR DIAGNOSIS AND TUMOR THERAPY Schering AG (DE) 2006-11-22 EP disclosed
US-20060235035-A1 Novel methoxybenzamibe compounds for use in mch receptor related disorders 7TM PHARMA A/S (DK) 2006-10-19 US disclosed
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US disclosed
WO-2005089815-A2 RADIOHALOGENATED BENZAMIDE DERIVATIVES AND THEIR USE IN TUMOR DIAGNOSIS AND TUMOR THERAPY SCHERING AG (DE) 2005-09-29 WO disclosed
US-20050207972-A1 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
EP-1497260-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM Pharma A/S (DK) 2005-01-19 EP disclosed
WO-2004048319-A1 NOVEL BENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2004-06-10 WO disclosed
WO-2003087045-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 WO disclosed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 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 (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-20110027179-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy BRDT, AADAC, IDH2 LMNA 3376/4885ADRA2A 908/4885CYP2D6 373/4885
US-20110052492-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy BRDT, AADAC, IDH2 LMNA 3376/4885ADRA2A 908/4885CYP2D6 373/4885
US-20050207972-A1 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BRDT, AADAC, IDH2 LMNA 3376/4885ADRA2A 908/4885CYP2D6 373/4885
US-20060235035-A1 Novel methoxybenzamibe compounds for use in mch receptor related disorders GPR119, MCHR2, HCRTR2 LMNA 3546/4885ADRA2A 213/4885CYP2D6 3139/4885

“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.