SCHEMBL1789786

SCHEMBL1789786

Cn1nc(-c2cccs2)cc1CNC(=O)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.42
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
ABCB1 P08183 1/20 0.39
GCGR P47871 1/20 0.39
CAMK2D Q13557 1/20 0.37
HPGDS O60760 2/20 0.37
HRH1 P35367 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL1789788 0.83 ABCB1 (0.39) KDM1AALDH1A1HPGDNPC1ABCB1
SCHEMBL1787243 0.83 HRH3 (0.48) HRH3HRH1KDM2B
SCHEMBL1791099 0.81 HPGD (0.46) HRH3ALDH1A1HPGDNPC1LMNA
SCHEMBL1791728 0.80 HPGD (0.56) HRH3ALDH1A1HPGDNPC1LMNA
SCHEMBL1787645 0.79 HRH3 (0.49) HRH3HPGDSHRH1KDM2B
SCHEMBL1792605 0.78 SLC5A7 (0.50) HRH3ALDH1A1HPGDNPC1LMNA
SCHEMBL1788605 0.78 HRH3 (0.50) HRH3HRH1KDM2B
SCHEMBL1786310 0.77 HRH3 (0.48) HRH3NPC1HRH1SMN1; SMN2KDM2B
SCHEMBL1787684 0.77 NAMPT (0.49) HRH3HPGDSHRH1KDM2B
SCHEMBL1790533 0.77 ROCK2 (0.48) HRH3ALDH1A1HPGDNPC1LMNA

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 HRH3 2/4885KDM1A 1204/4885ALDH1A1 1526/4885

“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.