SCHEMBL1788652

SCHEMBL1788652

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)C1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALPG P10696 1/20 0.44
PKM P14618 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
NAMPT P43490 1/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HDAC1 Q13547 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
MAPK14 Q16539 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
Hydrochloric Acid SCHEMBL1787769 0.99 HPGD (0.45) HPGDALPGPKMPOLBGAA
Hydrochloric Acid SCHEMBL1790235 0.99 HPGD (0.45) HPGDALPGPKMPOLBGAA
SCHEMBL1792092 0.84 ALDH1A1 (0.43) HPGDGAAKMT2ASMN1; SMN2LMNA
SCHEMBL1788649 0.82 HPGD (0.48) HPGDALPGPKMPOLBGAA
SCHEMBL7949457 0.82 HPGD (0.48) HPGDALPGPKMPOLBGAA
SCHEMBL7947913 0.82 HPGD (0.48) HPGDALPGPKMPOLBGAA
SCHEMBL1788942 0.82 ALDH1A1 (0.38) HPGDGAAKMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL1790234 0.82 HPGD (0.47) HPGDALPGPKMPOLBGAA
Hydrochloric Acid SCHEMBL1787771 0.82 HPGD (0.47) HPGDALPGPKMPOLBGAA
Hydrochloric Acid SCHEMBL1787767 0.82 HPGD (0.47) HPGDALPGPKMPOLBGAA

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 HPGD 1107/4885ALPG 4858/4885PKM 4171/4885

“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.