SCHEMBL1786963

SCHEMBL1786963

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.52
CACNA1I Q9P0X4 4/20 0.49
KCNH2 Q12809 3/20 0.49
HTR4 Q13639 1/20 0.48
ROCK2 O75116 3/20 0.46
HDAC4 P56524 1/20 0.46
BCHE P06276 1/20 0.45
MAOB P27338 1/20 0.45
PARP1 P09874 1/20 0.45
MAPK14 Q16539 1/20 0.44
MAP4K4 O95819 1/20 0.43

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 0.95 CACNA1I (0.51) NAMPTCACNA1IKCNH2HTR4ROCK2
SCHEMBL1787915 0.90 NAMPT (0.44) NAMPTCACNA1IKCNH2HTR4ROCK2
SCHEMBL1789513 0.89 ROCK2 (0.49) CACNA1IKCNH2HTR4ROCK2BCHE
SCHEMBL7945698 0.89 SMYD3 (0.55) NAMPTCACNA1IKCNH2HTR4ROCK2
SCHEMBL1789655 0.88 HRH3 (0.48) CACNA1IKCNH2HTR4ROCK2BCHE
Hydrochloric Acid SCHEMBL1790546 0.88 SMYD3 (0.54) NAMPTCACNA1IKCNH2HTR4ROCK2
SCHEMBL1789864 0.86 HDAC3 (0.64) CACNA1IKCNH2HDAC4BCHE
SCHEMBL10120343 0.79 HDAC6 (0.63)
SCHEMBL24552383 0.78 OPRM1 (0.59) NAMPTCACNA1IKCNH2ROCK2HDAC4
SCHEMBL1788776 0.78 HRH3 (0.54) HTR4ROCK2BCHEMAOB

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 4540/4885CACNA1I 825/4885KCNH2 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.