SCHEMBL3149402

SCHEMBL3149402

COc1cc2c(cc1OC)CCN(C(=O)CCCO)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 3/20 0.53
MAPK1 P28482 1/20 0.52
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DPP8 Q6V1X1 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL3157331 0.84 KMT2A (0.56) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL7333685 0.82 KMT2A (0.65) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL3153213 0.81 KMT2A (0.52) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL3152425 0.81 KMT2A (0.52) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL13059438 0.81 KMT2A (0.68) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL3153750 0.80 KMT2A (0.56) ALDH1A1KMT2AMAPTNPSR1NPC1
SCHEMBL28263863 0.80 KMT2A (0.63) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL21255890 0.79 KMT2A (0.66) ALDH1A1KMT2AMAPTNPSR1NPC1
SCHEMBL26544897 0.78 KMT2A (0.61) ALDH1A1KMT2AMAPTNPSR1HPGD
SCHEMBL1193583 0.78 THRB (0.57) ALDH1A1KMT2AMAPTNPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076325-B2 1,2,4,5-tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-12-13 US disclosed
EP-2036892-B1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-03-10 EP disclosed
EP-2036892-A1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-03-18 EP disclosed
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-12 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 (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-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them OXER1, NR1H3, OXSR1 ALDH1A1 1056/4885KMT2A 1570/4885MAPT 2717/4885

“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.