SCHEMBL1787617

SCHEMBL1787617

Cc1cc(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)c(C)o1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.49
ROCK2 O75116 1/20 0.48
KDM2B Q8NHM5 2/20 0.42
CYP2D6 P10635 1/20 0.41
HRH1 P35367 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 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
SCHEMBL1788118 0.86 HRH3 (0.49) HRH3KDM2BCYP2D6HRH1HDAC6
SCHEMBL1787823 0.82 HRH3 (0.48) HRH3KDM2BCYP2D6HRH1MAPT
SCHEMBL1789606 0.82 HRH3 (0.52) HRH3ROCK2KDM2BCYP2D6HRH1
SCHEMBL12608452 0.81 MAPT (0.53) HRH3KDM2BMAPT
SCHEMBL1787705 0.81 HRH3 (0.61) HRH3KDM2BCYP2D6HRH1HDAC6
SCHEMBL1789968 0.80 ROCK2 (0.51) HRH3ROCK2KDM2BHRH1HDAC6
SCHEMBL1787641 0.80 ALDH1A1 (0.53) HRH3KDM2BHRH1MAPT
SCHEMBL1787618 0.80 ROCK2 (0.46) ROCK2HDAC6MAPT
SCHEMBL1790326 0.80 RXFP1 (0.56) HRH3ROCK2KDM2BMAPT
SCHEMBL1790097 0.80 LMNA (0.50) HRH3KDM2BCYP2D6HDAC6MAPT

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 2/4885ROCK2 2377/4885KDM2B 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.