SCHEMBL7945698

SCHEMBL7945698

CCN1CCc2ccc(C(=O)NCC3CCNCC3)cc2CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.55
ACSS2 Q9NR19 1/20 0.48
KCNH2 Q12809 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
BRD4 O60885 1/20 0.45
HTR4 Q13639 1/20 0.45
NAMPT P43490 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
ROCK2 O75116 1/20 0.42
MAPK14 Q16539 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KLKB1 P03952 1/20 0.41
PARP1 P09874 1/20 0.41

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
Hydrochloric Acid SCHEMBL1790546 0.99 SMYD3 (0.54) SMYD3ACSS2KCNH2CACNA1IBRD4
SCHEMBL1788536 0.91 CACNA1I (0.51) KCNH2CACNA1IHTR4NAMPTROCK2
SCHEMBL1786963 0.89 NAMPT (0.52) KCNH2CACNA1IHTR4NAMPTROCK2
SCHEMBL1787915 0.86 NAMPT (0.44) SMYD3KCNH2CACNA1IHTR4NAMPT
SCHEMBL1789513 0.85 ROCK2 (0.49) SMYD3KCNH2CACNA1IHTR4ROCK2
SCHEMBL1789655 0.84 HRH3 (0.48) KCNH2CACNA1IHTR4KDM4EALDH1A1
SCHEMBL1787710 0.83 HRH3 (0.55) SMYD3BRD4NAMPTPARP1
SCHEMBL1789864 0.82 HDAC3 (0.64) KCNH2CACNA1IBCHE
SCHEMBL1787713 0.82 SMYD3 (0.53) SMYD3ACSS2KCNH2CACNA1IBRD4
SCHEMBL7947245 0.81 ACHE (0.61)

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 3 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
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 SMYD3 386/4885ACSS2 1878/4885KCNH2 106/4885

“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.