SCHEMBL1788795

SCHEMBL1788795

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1cncc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44
HRH3 Q9Y5N1 7/20 0.43
NAMPT P43490 2/20 0.42
USP36 Q9P275 2/20 0.42
DDR1 Q08345 1/20 0.41
RORC P51449 2/20 0.41
GLS O94925 1/20 0.41
ACKR3 P25106 2/20 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
SCHEMBL1794007 0.88 HRH3 (0.45) HRH3
SCHEMBL1787922 0.86 HRH3 (0.47) HRH3
SCHEMBL12608471 0.86 WDR5 (0.51) HDAC1HRH3
SCHEMBL1787453 0.85 HRH3 (0.50) HRH3NAMPTRORC
SCHEMBL1790574 0.84 HRH3 (0.50) KDM1AHDAC1HRH3NAMPTRORC
SCHEMBL1788937 0.83 HRH3 (0.52) HDAC1HRH3
SCHEMBL1790516 0.82 LMNA (0.51) HRH3
SCHEMBL1790622 0.81 MLYCD (0.54) HRH3
SCHEMBL1789791 0.80 LMNA (0.53) KDM1AHRH3
SCHEMBL1789870 0.80 HRH3 (0.47) HRH3

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 5 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
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 KDM1A 1204/4885HDAC1 237/4885HRH3 2/4885

“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.