SCHEMBL1789971

SCHEMBL1789971

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.60
CYP2D6 P10635 1/20 0.45
EPHX2 P34913 1/20 0.44
TPSAB1 Q15661 2/20 0.43
TPSD1 Q9BZJ3 2/20 0.43
TPSG1 Q9NRR2 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NAMPT P43490 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 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
SCHEMBL1791794 0.99 HRH3 (0.58) HRH3CYP2D6EPHX2TPSAB1TPSD1
SCHEMBL1791976 0.91 HRH3 (0.58) HRH3CYP2D6EPHX2TPSAB1TPSD1
SCHEMBL1791567 0.89 HRH3 (0.53) HRH3CYP2D6TPSAB1TPSD1TPSG1
SCHEMBL1790048 0.88 HRH3 (0.51) HRH3CYP2D6KDM2B
SCHEMBL7949359 0.85 HRH3 (0.50) HRH3CYP2D6KDM2BNAMPT
SCHEMBL1790230 0.85 HRH3 (0.49) HRH3CYP2D6KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL1787282 0.84 HRH3 (0.48) HRH3CYP2D6KMT2AMEN1NPC1
SCHEMBL1788258 0.84 HRH3 (0.47) HRH3CYP2D6KDM2B
SCHEMBL1792064 0.84 HRH3 (0.47) HRH3CYP2D6KDM2B
SCHEMBL1788261 0.84 HRH3 (0.47) HRH3CYP2D6KDM2B

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 2/4885CYP2D6 359/4885EPHX2 749/4885

“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.