SCHEMBL1789949

SCHEMBL1789949

CC(C)(O)C(=O)N1CCC(O)(Cc2ccc3c(c2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
HDAC6 Q9UBN7 1/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CYP46A1 Q9Y6A2 3/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
AVPR1A P37288 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PKLR P30613 1/20 0.30

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
SCHEMBL1978745 0.86 AVPR1A (0.35) CYP3A4CYP46A1AVPR1A
SCHEMBL1790522 0.86 ESR2 (0.42) HDAC6
SCHEMBL1787091 0.86 MTNR1B (0.34) CYP3A4CYP46A1AVPR1A
SCHEMBL1791306 0.81 HDAC6 (0.41) HDAC6ALDH1A1
SCHEMBL1789948 0.80 HRH3 (0.40)
SCHEMBL1788695 0.79 MLNR (0.31)
SCHEMBL1790199 0.76 DRD2 (0.39)
SCHEMBL1791660 0.76 CCR8 (0.34) CYP46A1ALDH1A1
SCHEMBL1790237 0.75 CYP11B2 (0.37) HDAC6
SCHEMBL1790557 0.72 ALDH1A1 (0.37) HDAC6ALDH1A1

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 CYP3A4 472/4885HDAC6 683/4885PSEN1 2983/4885

“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.