SCHEMBL1789864

SCHEMBL1789864

CCN1CCc2ccc(C(=O)NCC3CCN(Cc4ccccc4)CC3)cc2CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.64
HDAC4 P56524 8/20 0.64
HDAC1 Q13547 8/20 0.64
HDAC7 Q8WUI4 8/20 0.64
HDAC2 Q92769 8/20 0.64
HDAC10 Q969S8 8/20 0.64
HDAC11 Q96DB2 8/20 0.64
HDAC8 Q9BY41 8/20 0.64
HDAC6 Q9UBN7 8/20 0.64
HDAC9 Q9UKV0 8/20 0.64
HDAC5 Q9UQL6 8/20 0.64
ACHE P22303 3/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
KCNH2 Q12809 1/20 0.53
CACNA1I Q9P0X4 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
BCHE P06276 1/20 0.52

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
SCHEMBL1788536 0.91 CACNA1I (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1786963 0.86 NAMPT (0.52) HDAC4KCNH2CACNA1IBCHE
SCHEMBL7838832 0.84 HDAC1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1787915 0.83 NAMPT (0.44) KCNH2CACNA1IBCHE
SCHEMBL7846422 0.83 ACHE (0.76) ACHEBCHE
SCHEMBL1789513 0.82 ROCK2 (0.49) KCNH2CACNA1IBCHE
SCHEMBL7945698 0.82 SMYD3 (0.55) KCNH2CACNA1IBCHE
SCHEMBL1786901 0.82 DRD2 (0.64) ACHEDRD2DRD4BCHE
SCHEMBL1790748 0.82 KDM4E (0.54) MEN1KMT2A
SCHEMBL1789655 0.82 HRH3 (0.48) KCNH2CACNA1IBCHE

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 6 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
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 HDAC3 111/4885HDAC4 352/4885HDAC1 237/4885

“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.