SCHEMBL1789513

SCHEMBL1789513

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.49
HTR4 Q13639 4/20 0.47
F10 P00742 1/20 0.47
KCNH2 Q12809 3/20 0.45
CACNA1I Q9P0X4 3/20 0.45
SMYD3 Q9H7B4 4/20 0.42
BCHE P06276 1/20 0.42
MAOB P27338 1/20 0.42
RORC P51449 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 0.91 CACNA1I (0.51) ROCK2HTR4KCNH2CACNA1IBCHE
SCHEMBL1786963 0.89 NAMPT (0.52) ROCK2HTR4KCNH2CACNA1IBCHE
SCHEMBL1787915 0.86 NAMPT (0.44) ROCK2HTR4F10KCNH2CACNA1I
SCHEMBL7945698 0.85 SMYD3 (0.55) ROCK2HTR4KCNH2CACNA1ISMYD3
SCHEMBL1789655 0.84 HRH3 (0.48) ROCK2HTR4F10KCNH2CACNA1I
Hydrochloric Acid SCHEMBL1790546 0.84 SMYD3 (0.54) ROCK2HTR4KCNH2CACNA1ISMYD3
SCHEMBL1789864 0.82 HDAC3 (0.64) KCNH2CACNA1IBCHE
SCHEMBL10120343 0.75 HDAC6 (0.63)
SCHEMBL1788776 0.74 HRH3 (0.54) ROCK2HTR4F10BCHEMAOB
SCHEMBL1790748 0.73 KDM4E (0.54)

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 ROCK2 2377/4885HTR4 48/4885F10 2095/4885

“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.