SCHEMBL1790481

SCHEMBL1790481

O=C(c1ccc2c(c1)CCN(C1=CC=C1)CC2)N1CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
KDM1A O60341 1/20 0.40
HPGD P15428 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.37
MAPK1 P28482 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MYC P01106 1/20 0.36
CRBN Q96SW2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL1789790 0.86 HPGD (0.47) HDAC6KDM1AHPGDLMNACYP3A4
SCHEMBL1787575 0.86 HPGD (0.44) HDAC6KDM1AHPGDLMNAMYC
SCHEMBL1791341 0.83 PKM (0.49) HPGDCNR1HSP90AA1HSP90AB1KMT2A
SCHEMBL1790934 0.83 HSP90AA1 (0.45) HDAC6HPGDLMNAMAPK1HSP90AA1
SCHEMBL1787356 0.79 ALDH1A1 (0.57) HDAC6MAPK1MYCMEN1KMT2A
SCHEMBL1791392 0.79 ALDH1A1 (0.53) HPGDMAPK1KMT2ANAMPTALDH1A1
SCHEMBL1787138 0.77 ALDH1A1 (0.52) HDAC6LMNAKMT2AALDH1A1
SCHEMBL1792228 0.77 ALDH1A1 (0.42) HDAC6ALDH1A1
SCHEMBL1791095 0.77 ALDH1A1 (0.42) HDAC6KDM1AMEN1KMT2AALDH1A1
SCHEMBL1790480 0.76 HRH3 (0.54)

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 HDAC6 683/4885KDM1A 1204/4885HPGD 1107/4885

“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.