SCHEMBL3144868

SCHEMBL3144868

COc1cc2c(cc1OC)CCN(C(=O)CCNCC1Cc3cc(OC(=O)N4CCC(F)(F)CC4)ccc31)CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.37
MEN1 O00255 1/20 0.37
ABCB1 P08183 3/20 0.36
ABCC1 P33527 1/20 0.36
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3163086 0.91 DPP4 (0.45) DPP4DPP8KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL4253272 0.90 DPP4 (0.44) DPP4DPP8KMT2AMAPTMEN1
SCHEMBL3267375 0.89 SMN1; SMN2 (0.46) DPP4DPP8KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4243050 0.88 SMN1; SMN2 (0.45) DPP4DPP8KMT2AMEN1ALDH1A1
SCHEMBL3162393 0.87 ABCB1 (0.46) DPP4DPP8KMT2AMAPTMEN1
SCHEMBL3146940 0.86 DPP4 (0.44) DPP4DPP8KMT2AMAPTMEN1
SCHEMBL3149457 0.85 KMT2A (0.45) DPP4DPP8KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL4253485 0.85 KMT2A (0.44) DPP4DPP8KMT2AMAPTMEN1
SCHEMBL3152625 0.84 DPP4 (0.43) DPP4DPP8KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL4247185 0.84 DPP4 (0.42) DPP4DPP8KMT2AMAPTMEN1

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 DPP4 3477/4885DPP8 4108/4885KMT2A 1570/4885

“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.