SCHEMBL3144330

SCHEMBL3144330

COc1cc2c(cc1OC)CCN(C(=O)CCNC[C@H]1Cc3cc(OC)c(OC)cc31)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
HCN4 Q9Y3Q4 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.44
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3155041 1.00 DPP4 (0.49) DPP4DPP8CHRM2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL4248376 0.99 DPP4 (0.48) DPP4DPP8CHRM2HTR1ASLC6A4
SCHEMBL3149531 0.95 DPP4 (0.46) DPP4DPP8CHRM2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL4251956 0.94 DPP4 (0.45) DPP4DPP8CHRM2HTR1ASLC6A4
SCHEMBL3149534 0.94 DPP4 (0.47) DPP4DPP8CHRM2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL4249209 0.93 DPP4 (0.46) DPP4DPP8CHRM2HTR1ASLC6A4
SCHEMBL3149736 0.92 DPP4 (0.46) DPP4DPP8KMT2AMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL4250876 0.91 DPP4 (0.45) DPP4DPP8KMT2AMTNR1AMTNR1B
SCHEMBL3258959 0.90 DPP4 (0.44) DPP4DPP8HTR1ARAB9ASMN1; SMN2
SCHEMBL3152752 0.90 DPP4 (0.45) DPP4DPP8RAB9ASMN1; SMN2KMT2A

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 4108/4885CHRM2 72/4885

“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.