SCHEMBL1787607

SCHEMBL1787607

CC1(C)CC(C(=O)NCc2ccc3c(c2)CCN(C2=CC=C2)CC3)CCO1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
POLB P06746 2/20 0.38
ALOX15 P16050 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
OGA O60502 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.34
OPRK1 P41145 2/20 0.34
HTR2A P28223 1/20 0.34
OPRD1 P41143 1/20 0.34

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 0.86 ALDH1A1 (0.43) ALDH1A1ALOX15L3MBTL1OGAKDM4E
SCHEMBL1788942 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15OGAKDM4EHPGD
SCHEMBL1787605 0.83 HRH3 (0.41) ALDH1A1POLBALOX15ERCC1ERCC4
SCHEMBL1788760 0.82 ACHE (0.43) ALDH1A1ALOX15KDM4EHPGDERCC1
SCHEMBL1788129 0.80 ERCC1 (0.39) ALDH1A1ALOX15L3MBTL1OGAKDM4E
SCHEMBL1788652 0.78 HPGD (0.46) ALDH1A1POLBHPGDERCC1ERCC4
SCHEMBL1788560 0.78 ACHE (0.37) ALDH1A1POLBALOX15KDM4EHPGD
SCHEMBL1787768 0.78 ALDH1A1 (0.37) ALDH1A1L3MBTL1OGAKDM4EHPGD
Hydrochloric Acid SCHEMBL1787769 0.77 HPGD (0.45) ALDH1A1POLBHPGDERCC1ERCC4
Hydrochloric Acid SCHEMBL1790235 0.77 HPGD (0.45) ALDH1A1POLBHPGDERCC1ERCC4

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 1526/4885POLB 4401/4885ALOX15 775/4885

“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.