SCHEMBL1787768

SCHEMBL1787768

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)C1CC(OC2CCOCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
HPGD P15428 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CYP11B2 P19099 1/20 0.33
OGA O60502 3/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT5 O14744 1/20 0.32

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
SCHEMBL1792092 0.89 ALDH1A1 (0.43) ALDH1A1GAAKMT2AMAPTKDM4E
SCHEMBL1788560 0.85 ACHE (0.37) ALDH1A1KDM4EERCC1ERCC4HPGD
SCHEMBL1788942 0.85 ALDH1A1 (0.38) ALDH1A1GAAKMT2AMAPTKDM4E
SCHEMBL1791740 0.84 HRH3 (0.46) ALDH1A1GAAKMT2A
SCHEMBL1787766 0.84 HRH3 (0.46) ALDH1A1GAAKMT2A
SCHEMBL1787765 0.84 HRH3 (0.46) ALDH1A1GAAKMT2A
SCHEMBL1788760 0.78 ACHE (0.43) ALDH1A1KMT2AKDM4EERCC1ERCC4
SCHEMBL1788652 0.78 HPGD (0.46) ALDH1A1GAAKMT2AERCC1ERCC4
SCHEMBL1788129 0.78 ERCC1 (0.39) ALDH1A1KMT2AMAPTKDM4EERCC1
SCHEMBL1787607 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EERCC1ERCC4HPGD

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 ALDH1A1 1526/4885GAA 4339/4885KMT2A 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.