SCHEMBL1787356

SCHEMBL1787356

O=C(O)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
SRD5A2 P31213 4/20 0.41
SRD5A1 P18405 3/20 0.41
AKR1C3 P42330 10/20 0.40
AKR1C1 Q04828 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MYC P01106 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
GRM1 Q13255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1791095 0.88 ALDH1A1 (0.42) ALDH1A1AKR1C3KDM4EPOLBMEN1
SCHEMBL1792228 0.88 ALDH1A1 (0.42) ALDH1A1AKR1C3AKR1C1HDAC6
SCHEMBL1790900 0.85 HDAC6 (0.47) ALDH1A1AKR1C3KDM4EMAPTMEN1
SCHEMBL1789578 0.84 NR1H4 (0.48) ALDH1A1MAPTKMT2A
SCHEMBL1787575 0.84 HPGD (0.44) ALDH1A1MAPTMYCCYP2C19HDAC6
SCHEMBL1789887 0.84 HDAC6 (0.43) ALDH1A1SRD5A2SRD5A1KDM4EMAPT
SCHEMBL1789790 0.84 HPGD (0.47) ALDH1A1CYP2C19HDAC6
SCHEMBL1791301 0.83 HDAC6 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1787984 0.83 NPC1 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1787756 0.81 SMYD3 (0.48) ALDH1A1KDM4EMAPTPOLBMEN1

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 1526/4885SRD5A2 899/4885SRD5A1 1135/4885

“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.