SCHEMBL1787915

SCHEMBL1787915

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
PRMT5 O14744 2/20 0.44
HTR4 Q13639 1/20 0.44
ROCK2 O75116 1/20 0.44
MCHR1 Q99705 2/20 0.43
SMYD3 Q9H7B4 4/20 0.43
BCHE P06276 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
F10 P00742 1/20 0.42
CRBN Q96SW2 1/20 0.42

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 0.92 CACNA1I (0.51) NAMPTKCNH2CACNA1IHTR4ROCK2
SCHEMBL1786963 0.90 NAMPT (0.52) NAMPTKCNH2CACNA1IHTR4ROCK2
SCHEMBL1789513 0.86 ROCK2 (0.49) KCNH2CACNA1IHTR4ROCK2SMYD3
SCHEMBL7945698 0.86 SMYD3 (0.55) NAMPTKCNH2CACNA1IHTR4ROCK2
SCHEMBL1788539 0.85 HRH3 (0.51) NAMPTPRMT5F10
SCHEMBL1789655 0.85 HRH3 (0.48) KCNH2CACNA1IHTR4ROCK2BCHE
Hydrochloric Acid SCHEMBL1790546 0.85 SMYD3 (0.54) NAMPTKCNH2CACNA1IHTR4ROCK2
SCHEMBL1789864 0.83 HDAC3 (0.64) KCNH2CACNA1IBCHE
SCHEMBL1788544 0.83 SMYD3 (0.42) NAMPTKCNH2CACNA1IPRMT5MCHR1
SCHEMBL10120343 0.76 HDAC6 (0.63)

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 NAMPT 4540/4885KCNH2 106/4885CACNA1I 825/4885

“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.