SCHEMBL1788933

SCHEMBL1788933

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM3 P20309 1/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM5 P41594 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
MAPK14 Q16539 1/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1789870 0.91 HRH3 (0.47) NPC1RAB9AHRH3MAPK14TP53
SCHEMBL1789791 0.89 LMNA (0.53) HRH3MAPK14GAATP53LMNA
SCHEMBL1792317 0.87 HRH3 (0.48) HRH3MAPK14TP53LMNA
SCHEMBL1794007 0.86 HRH3 (0.45) HRH3MAPK14
SCHEMBL1789761 0.84 HRH3 (0.45) HRH3MAPK14TP53
SCHEMBL1788937 0.83 HRH3 (0.52) HPGDTSHRNPC1SMN1; SMN2HRH3
SCHEMBL1790516 0.82 LMNA (0.51) HRH3MAPK14TP53LMNA
SCHEMBL4772670 0.82 NPC1 (0.71) TSHRKMT2AMEN1ALDH1A1HTT
SCHEMBL1789710 0.82 HRH3 (0.52) HRH3MAPK14NAMPT
SCHEMBL1788806 0.82 HRH3 (0.54) HPGDKMT2AMEN1ALDH1A1HTT

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 HPGD 1107/4885TSHR 617/4885KMT2A 731/4885

“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.