SCHEMBL4247356

SCHEMBL4247356

COc1cc2c(cc1OC)CCN(C(=O)CCN(CC1Cc3ccc(O)cc31)C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
HCN4 Q9Y3Q4 1/20 0.41
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4247539 0.93 ESR2 (0.42) ESR2CHRM2HTR1ASLC6A4DRD3
SCHEMBL3162877 0.86 CHRM2 (0.52) ESR2CHRM2HTR1ASLC6A4DRD3
SCHEMBL4247516 0.83 ABCB1 (0.40) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL4250522 0.81 KMT2A (0.41) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL4253487 0.80 MAPT (0.41) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3155038 0.79 CHRM2 (0.52) ESR2CHRM2HTR1ASLC6A4DRD3
SCHEMBL4248373 0.79 KMT2A (0.36) CHRM2HTR1ASLC6A4DRD3KCNH2
SCHEMBL3163056 0.77 DPP4 (0.45) DRD2DRD1KMT2AALDH1A1RAB9A
SCHEMBL4247358 0.77 HCRTR2 (0.41) ESR2DRD2DRD1KMT2AALDH1A1
SCHEMBL301711 0.76 CHRM2 (0.62) CHRM2HTR1ASLC6A4DRD3KCNH2

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 2 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
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 ESR2 347/4885CHRM2 72/4885HTR1A 61/4885

“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.