SCHEMBL1186372

SCHEMBL1186372

CCOc1cc(N)ccc1C(=O)NCCN(CC)CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.60
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.58
SLC22A1 O15245 2/20 0.58
ACHE P22303 2/20 0.58
SLC22A2 O15244 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 3/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
ADRA2A P08913 2/20 0.53
DRD3 P35462 2/20 0.53

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
SCHEMBL1185069 0.89 TSHR (0.50) MCHR1LMNAALDH1A1SLC22A1ACHE
SCHEMBL1186889 0.89 CYP2D6 (0.57) MCHR1LMNAALDH1A1SLC22A1ACHE
SCHEMBL1185641 0.89 LMNA (0.67) MCHR1LMNAALDH1A1SLC22A1ACHE
SCHEMBL1185267 0.85 HCRTR1 (0.48) MCHR1LMNAALDH1A1SLC22A1ACHE
Acetic Acid SCHEMBL5925506 0.85 ADRA2A (0.63) MCHR1LMNAALDH1A1SLC22A1ACHE
SCHEMBL3768803 0.85 MCHR1 (0.58) MCHR1LMNAALDH1A1SLC22A1ACHE
SCHEMBL1186887 0.83 LMNA (0.53) MCHR1LMNAALDH1A1SLC22A1ACHE
SCHEMBL11755479 0.83 ALDH1A1 (0.70) MCHR1LMNAALDH1A1SLC22A1ACHE
Hydrochloric Acid SCHEMBL11749576 0.82 ALDH1A1 (0.68) MCHR1LMNAALDH1A1SLC22A1ACHE
SCHEMBL5925516 0.82 LMNA (0.63) LMNAALDH1A1SLC22A1ACHESLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-20060235035-A1 Novel methoxybenzamibe compounds for use in mch receptor related disorders 7TM PHARMA A/S (DK) 2006-10-19 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

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

For each of this compound's patents that has machine-readable text (5 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 MCHR1 3669/4885LMNA 3376/4885ALDH1A1 67/4885
US-20090012090-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy BRDT, AADAC, IDH2 MCHR1 3669/4885LMNA 3376/4885ALDH1A1 67/4885
US-20110052492-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy BRDT, AADAC, IDH2 MCHR1 3669/4885LMNA 3376/4885ALDH1A1 67/4885
US-20050207972-A1 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BRDT, AADAC, IDH2 MCHR1 3669/4885LMNA 3376/4885ALDH1A1 67/4885
US-20060235035-A1 Novel methoxybenzamibe compounds for use in mch receptor related disorders GPR119, MCHR2, HCRTR2 MCHR1 5/4885LMNA 3546/4885ALDH1A1 3618/4885

“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.