SCHEMBL1789955

SCHEMBL1789955

Cn1ccc(C=CC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GPR119 Q8TDV5 7/20 0.39
JAK2 O60674 5/20 0.38
JAK3 P52333 5/20 0.38
PTK2 Q05397 5/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1789953 1.00 ESR2 (0.45) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL1787596 0.75 ESR2 (0.60) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL1789709 0.75 ESR2 (0.60) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL9052660 0.74 NR1H2 (0.61) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL5663801 0.73 ESR2 (0.57) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL25560425 0.72 HDAC1 (0.44) NPC1RAB9AHDAC6HDAC1HDAC8
SCHEMBL4765651 0.71 ESR2 (0.55) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL4765658 0.71 ESR2 (0.55) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL2310678 0.70 ESR2 (0.57) ESR2NR1H2NPC1RAB9AHDAC6
SCHEMBL2602063 0.70 NR1H2 (0.56) ESR2NR1H2NPC1RAB9AGPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 ESR2 1902/4885NR1H2 134/4885NPC1 1764/4885

“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.