SCHEMBL1787035

SCHEMBL1787035

CC(=O)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
HDAC6 Q9UBN7 6/20 0.56
HDAC8 Q9BY41 1/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B1 P14061 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL31670429 0.92 ESR1 (0.68) ESR1ESR2HDAC6HDAC8RAB9A
SCHEMBL4704441 0.92 ESR1 (0.68) ESR1ESR2HDAC6HDAC8RAB9A
SCHEMBL7423258 0.87 ESR1 (0.57) ESR1ESR2HDAC6HDAC8MAPT
SCHEMBL4075352 0.85 ESR1 (0.52) ESR1ESR2HDAC6HDAC8RAB9A
SCHEMBL3440214 0.83 RAB9A (0.53) HDAC6HDAC8RAB9ANPC1MAPT
SCHEMBL4071348 0.82 ESR1 (0.50) ESR1ESR2HDAC6HDAC8RAB9A
SCHEMBL31670368 0.82 HDAC6 (0.55) ESR1ESR2HDAC6HDAC8RAB9A
SCHEMBL1366408 0.82 ESR1 (0.52) ESR1ESR2HDAC6HDAC8RAB9A
SCHEMBL719483 0.82 ESR1 (0.52) ESR1ESR2HDAC6RAB9ANPC1
SCHEMBL9052486 0.82 HDAC6 (0.59) ESR1ESR2HDAC6HDAC8RAB9A

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 ESR1 2324/4885ESR2 1902/4885HDAC6 683/4885

“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.