SCHEMBL4246029

SCHEMBL4246029

COc1cc2c(cc1OC)CCN(C(=O)CCNCc1ccccc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
KMT2A Q03164 1/20 0.61
HCRTR2 O43614 8/20 0.57
HCRTR1 O43613 2/20 0.56
GPR183 P32249 1/20 0.55
THRB P10828 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
ALOX15 P16050 1/20 0.49
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL3153213 0.80 KMT2A (0.52) NPC1KMT2AGPR183THRBALDH1A1
SCHEMBL3150374 0.79 DPP4 (0.52) NPC1KMT2AGPR183THRBALDH1A1
SCHEMBL3162664 0.78 KMT2A (0.47) NPC1KMT2AHCRTR2HCRTR1GPR183
Hydrochloric Acid SCHEMBL4245600 0.78 DPP4 (0.52) NPC1KMT2AGPR183THRBALDH1A1
Hydrochloric Acid SCHEMBL4246054 0.78 KMT2A (0.46) NPC1KMT2AHCRTR2HCRTR1GPR183
SCHEMBL3157331 0.77 KMT2A (0.56) NPC1KMT2AGPR183THRBALDH1A1
SCHEMBL3150480 0.77 DPP4 (0.51) NPC1KMT2AGPR183THRBALDH1A1
SCHEMBL3158495 0.76 DPP8 (0.47) NPC1KMT2AGPR183THRBALDH1A1
SCHEMBL23023083 0.76 KDM4E (0.59) ALDH1A1KDM4ELMNARAB9A
Hydrochloric Acid SCHEMBL4250477 0.76 DPP4 (0.50) NPC1KMT2AGPR183THRBALDH1A1

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 NPC1 498/4885KMT2A 1570/4885HCRTR2 9/4885

“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.