SCHEMBL3159100

SCHEMBL3159100

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.45
KMT2A Q03164 4/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
ABCC1 P33527 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3162393 0.88 ABCB1 (0.46) ABCB1KMT2ADPP4DPP8ABCC1
SCHEMBL3145228 0.88 KMT2A (0.55) ABCB1KMT2ADPP4DPP8ABCC1
Hydrochloric Acid SCHEMBL4250142 0.88 KMT2A (0.54) ABCB1KMT2ADPP4DPP8ABCC1
SCHEMBL3153971 0.87 KMT2A (0.41) ABCB1KMT2ADPP4DPP8ABCC1
SCHEMBL3149736 0.86 DPP4 (0.46) ABCB1KMT2ADPP4DPP8ABCC1
Hydrochloric Acid SCHEMBL4251356 0.86 KMT2A (0.41) ABCB1KMT2ADPP4DPP8ABCC1
SCHEMBL3152752 0.86 DPP4 (0.45) ABCB1KMT2ADPP4DPP8ABCC1
SCHEMBL3163086 0.86 DPP4 (0.45) ABCB1KMT2ADPP4DPP8ABCC1
SCHEMBL3152625 0.86 DPP4 (0.43) ABCB1KMT2ADPP4DPP8ABCC1
SCHEMBL3144330 0.86 DPP4 (0.49) KMT2ADPP4DPP8MAPTALDH1A1

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 ABCB1 355/4885KMT2A 1570/4885DPP4 3477/4885

“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.