SCHEMBL3414717

SCHEMBL3414717

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.65
ADRA2A P08913 3/20 0.61
CYP2D6 P10635 3/20 0.61
DRD3 P35462 3/20 0.61
CYP1A2 P05177 2/20 0.61
LMNA P02545 2/20 0.61
DRD2 P14416 2/20 0.61
HTR2B P41595 2/20 0.61
KCNH2 Q12809 2/20 0.61
HTR3E A5X5Y0 1/20 0.61
SLC22A1 O15245 1/20 0.61
HTR3B O95264 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MPO P05164 1/20 0.61
ADRA2C P18825 1/20 0.61
DRD4 P21917 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HTR3A P46098 1/20 0.61
HTR4 Q13639 1/20 0.61

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
SCHEMBL3762391 0.90 MCHR1 (0.53) MCHR1ADRA2ACYP2D6DRD3CYP1A2
SCHEMBL3768803 0.89 MCHR1 (0.58) MCHR1ADRA2ACYP2D6DRD3CYP1A2
SCHEMBL3768777 0.89 MCHR1 (0.53) MCHR1ADRA2ACYP2D6DRD3CYP1A2
SCHEMBL6108999 0.87 MCHR1 (0.83) MCHR1
SCHEMBL1185641 0.85 LMNA (0.67) MCHR1ADRA2ACYP2D6DRD3CYP1A2
SCHEMBL3760668 0.84 MCHR1 (0.47) MCHR1ADRA2ACYP2D6DRD3CYP1A2
SCHEMBL6140571 0.83 MCHR1 (0.62) MCHR1ALDH1A1TMEM97SIGMAR1
SCHEMBL6110043 0.83 MCHR1 (0.78) MCHR1
SCHEMBL6109194 0.83 MCHR1 (0.81) MCHR1
SCHEMBL6108725 0.82 MCHR1 (0.64) MCHR1ALDH1A1TMEM97SIGMAR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010028281-A1 PHARMACEUTICAL COMPOSITION OF A RADIOIODINATED BENZAMIDE DERIVATIVE AND METHODS OF MAKING THE SAME MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed
US-20090012090-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy FRIEBE MATTHIAS 2009-01-08 US disclosed
US-7427390-B2 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy SCHERING AG (DE) 2008-09-23 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
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

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

For each of this compound's patents that has machine-readable text (2 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-20090012090-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy BRDT, AADAC, IDH2 MCHR1 3669/4885ADRA2A 908/4885CYP2D6 373/4885
US-20050207972-A1 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BRDT, AADAC, IDH2 MCHR1 3669/4885ADRA2A 908/4885CYP2D6 373/4885

“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.