SCHEMBL1787936

SCHEMBL1787936

O=C(N1CCc2ccc(Br)cc2CC1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 6/20 0.60
ESR1 P03372 7/20 0.58
ESR2 Q92731 7/20 0.58
HDAC6 Q9UBN7 2/20 0.48
PKM P14618 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HSD17B3 P37058 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL30411956 0.91 ESR1 (0.72) ABHD6ESR1ESR2HDAC6PKM
SCHEMBL585650 0.91 ESR1 (0.72) ABHD6ESR1ESR2HDAC6PKM
SCHEMBL419896 0.91 ESR2 (0.72) ABHD6ESR1ESR2HDAC6PKM
SCHEMBL373697 0.83 ESR2 (0.83) ABHD6ESR1ESR2HDAC6
SCHEMBL6857272 0.82 ESR1 (0.56) ABHD6ESR1ESR2HDAC6PKM
SCHEMBL7849236 0.81 ESR2 (0.58) ABHD6ESR1ESR2HDAC6PKM
SCHEMBL27176737 0.81 ESR1 (0.58) ABHD6ESR1ESR2HDAC6PKM
SCHEMBL373718 0.81 ESR1 (0.58) ABHD6ESR1ESR2HDAC6PKM
SCHEMBL566629 0.81 ESR1 (0.58) ABHD6ESR1ESR2HDAC6PKM
SCHEMBL2585109 0.81 ESR1 (0.62) ABHD6ESR1ESR2HDAC6PKM

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 6 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
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US 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
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 ABHD6 1634/4885ESR1 2324/4885ESR2 1902/4885

“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.