SCHEMBL1793233

SCHEMBL1793233

Cn1ccc(CCC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
MCHR1 Q99705 15/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1787686 0.83 NAMPT (0.49) DRD2ALDH1A1MAPT
SCHEMBL1793232 0.80 HRH3 (0.45) CTNNB1WNT3AMCHR1
SCHEMBL1792984 0.78 ACHE (0.44) CTNNB1WNT3AMCHR1HTR1ADRD2
SCHEMBL1790869 0.78 DRD2 (0.33) DRD2
Hydrochloric Acid SCHEMBL1789547 0.74 DRD2 (0.32) DRD2
SCHEMBL1787356 0.73 ALDH1A1 (0.57) ALDH1A1MAPT
SCHEMBL1790900 0.71 HDAC6 (0.47) ALDH1A1MAPT
SCHEMBL1789071 0.71 NPC1 (0.41) ALDH1A1MAPT
SCHEMBL1792228 0.71 ALDH1A1 (0.42) CTNNB1WNT3AMCHR1ALDH1A1
SCHEMBL1791095 0.71 ALDH1A1 (0.42) ALDH1A1

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
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
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 CTNNB1 1732/4885WNT3A 1401/4885MCHR1 191/4885

“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.