SCHEMBL4247358

SCHEMBL4247358

COc1cc2c(cc1OC)CCN(C(=O)CCN(C(=O)O)C(C1Cc3ccc(O)cc31)C(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.41
HCRTR1 O43613 4/20 0.41
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
ESR2 Q92731 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1B P49286 1/20 0.37
MAPT P10636 1/20 0.37
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
SCHEMBL4247541 0.93 HCRTR2 (0.41) HCRTR2HCRTR1KMT2ANPC1ESR2
SCHEMBL4247520 0.84 ABCB1 (0.41) HCRTR2HCRTR1KMT2ANPC1
SCHEMBL4253490 0.80 MAPT (0.41) HCRTR2HCRTR1KMT2ANPC1ALDH1A1
SCHEMBL3162877 0.78 CHRM2 (0.52) KMT2ANPC1ESR2PDE4BPDE4D
SCHEMBL4247356 0.77 ESR2 (0.42) HCRTR2HCRTR1KMT2ANPC1ESR2
SCHEMBL3155038 0.72 CHRM2 (0.52) KMT2ANPC1ESR2PDE4BPDE4D
SCHEMBL3163056 0.72 DPP4 (0.45) KMT2ANPC1PDE4BPDE4DDRD2
SCHEMBL4247539 0.71 ESR2 (0.42) HCRTR2HCRTR1KMT2ANPC1ESR2
SCHEMBL3149555 0.67 KMT2A (0.48) KMT2ANPC1ALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL4254355 0.67 CHRM2 (0.50) HCRTR2HCRTR1KMT2ANPC1ALDH1A1

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 HCRTR2 9/4885HCRTR1 7/4885KMT2A 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.