SCHEMBL1789900

SCHEMBL1789900

Cn1cc(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
HRH3 Q9Y5N1 13/20 0.49
PIK3CA P42336 1/20 0.46
HRH1 P35367 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1790450 0.89 SLC5A7 (0.51) HRH3PIK3CAHRH1
SCHEMBL1791891 0.83 HRH3 (0.50) ROCK2HRH3
SCHEMBL12608452 0.83 MAPT (0.53) HRH3
SCHEMBL1788806 0.83 HRH3 (0.54) HRH3SMN1; SMN2NPC1RAB9A
SCHEMBL1789723 0.82 HRH3 (0.66) HRH3HRH1
SCHEMBL1787641 0.82 ALDH1A1 (0.53) HRH3HRH1NPC1RAB9A
SCHEMBL1789968 0.82 ROCK2 (0.51) ROCK2HRH3HRH1
SCHEMBL1789577 0.82 HRH3 (0.51) HRH3
SCHEMBL1787684 0.82 NAMPT (0.49) ROCK2HRH3HRH1
SCHEMBL1787645 0.82 HRH3 (0.49) HRH3HRH1

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
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 ROCK2 2377/4885HRH3 2/4885PIK3CA 4500/4885

“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.