SCHEMBL1787565

SCHEMBL1787565

COc1ccc(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.54
LMNA P02545 3/20 0.54
NAMPT P43490 1/20 0.53
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
ROCK2 O75116 1/20 0.49
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
EPHX2 P34913 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL1787454 0.86 HRH3 (0.58) HRH3LMNAMAPTTP53DRD2
SCHEMBL1787567 0.81 NAMPT (0.53) LMNANAMPTMAPTTP53ROCK2
SCHEMBL1786902 0.79 HRH3 (0.53) HRH3MAPT
SCHEMBL1787705 0.78 HRH3 (0.61) HRH3
SCHEMBL1788118 0.78 HRH3 (0.49) HRH3
SCHEMBL1787617 0.78 HRH3 (0.49) HRH3MAPTROCK2
SCHEMBL1790097 0.77 LMNA (0.50) HRH3LMNAMAPTTP53DRD2
SCHEMBL1790326 0.77 RXFP1 (0.56) HRH3LMNAMAPTTP53ROCK2
SCHEMBL12608452 0.77 MAPT (0.53) HRH3LMNAMAPTTP53ALDH1A1
SCHEMBL1788806 0.77 HRH3 (0.54) HRH3LMNAMAPTTP53TMEM97

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 5 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

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 HRH3 2/4885LMNA 2172/4885NAMPT 4540/4885

“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.