SCHEMBL1759540

SCHEMBL1759540

COc1ccc(Br)c(CNC2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.55
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 2/20 0.46
HTR1A P08908 5/20 0.45
SLC6A4 P31645 5/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5798027 0.83 KDM4E (0.56) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL737348 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL13262996 0.79 KDM1A (0.59) MCHR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29114695 0.79 TSHR (0.66) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL25683679 0.78 KDM1A (0.60) MCHR1ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL31580079 0.78 TSHR (0.64) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11623963 0.75 LMNA (0.71) MCHR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3919386 0.74 TSHR (0.71) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31114359 0.74 TSHR (0.67) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL7551792 0.74 ADRA1A (0.48) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
CN-102812011-A [1,5] -diazacyclo-octatetraene derivative MELLITECH 2012-12-05 CN disclosed
EP-2501685-A1 [1,5]-DIAZOCIN DERIVATIVES Mellitech (FR) 2012-09-26 EP disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 WO disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 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 (1 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-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R MCHR1 2905/4885ALDH1A1 610/4885KDM4E 3585/4885

“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.