SCHEMBL1789765

SCHEMBL1789765

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)c1ccc(N2CCCC2)nn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 12/20 0.43
SCD O00767 4/20 0.41
MAPK14 Q16539 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
TP53 P04637 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
SCHEMBL1789762 0.83 HRH3 (0.50) DCTPP1SCD
SCHEMBL1788622 0.80 DGAT2 (0.42) MAPK14TP53
SCHEMBL1789742 0.79 HPGD (0.51) MAPK14
SCHEMBL1792348 0.78 CYP1A2 (0.51) TP53
SCHEMBL1789862 0.78 SMN1; SMN2 (0.50) TP53
SCHEMBL1789972 0.78 KMT2A (0.42) MAPK14
SCHEMBL1790517 0.78 LMNA (0.51) MAPK14TP53
SCHEMBL1791796 0.77 KMT2A (0.41) MAPK14
SCHEMBL1789911 0.77 TP53 (0.38) MAPK14TP53
SCHEMBL1788446 0.76 ACE2 (0.53) MAPK14TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US 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 DCTPP1 4868/4885SCD 3758/4885MAPK14 2341/4885

“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.