SCHEMBL1787243

SCHEMBL1787243

Cc1cc(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.48
HRH1 P35367 1/20 0.42
KDM2B Q8NHM5 2/20 0.41
ACKR3 P25106 1/20 0.41
CYP2D6 P10635 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1787645 0.85 HRH3 (0.49) HRH3HRH1KDM2B
SCHEMBL1792605 0.84 SLC5A7 (0.50) HRH3HRH1KDM2BACKR3
SCHEMBL1787941 0.84 HRH3 (0.50) HRH3HRH1KDM2BHDAC6
SCHEMBL1786310 0.83 HRH3 (0.48) HRH3HRH1KDM2BCYP2D6
SCHEMBL1789786 0.83 HRH3 (0.42) HRH3HRH1KDM2B
SCHEMBL1791552 0.82 HRH3 (0.48) HRH3HRH1KDM2BHDAC6
SCHEMBL1788605 0.82 HRH3 (0.50) HRH3HRH1KDM2BHDAC6
SCHEMBL1787641 0.82 ALDH1A1 (0.53) HRH3HRH1KDM2B
SCHEMBL1789968 0.82 ROCK2 (0.51) HRH3HRH1KDM2BHDAC6
SCHEMBL1787684 0.81 NAMPT (0.49) HRH3HRH1KDM2BACKR3

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 4 patents. 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
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 HRH3 2/4885HRH1 4/4885KDM2B 1549/4885

“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.