SCHEMBL1788560

SCHEMBL1788560

COC1CC(C(=O)NCc2ccc3c(c2)CCN(C2=CC=C2)CC3)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 3/20 0.36
PKM P14618 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL1787768 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EHPGDERCC1
SCHEMBL1788760 0.82 ACHE (0.43) ACHEBACE1ALDH1A1TDP1KDM4E
SCHEMBL1792092 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDALOX15
SCHEMBL1788556 0.81 HRH3 (0.45) CYP3A4
SCHEMBL1788129 0.80 ERCC1 (0.39) ALDH1A1TDP1KDM4EHPGDALOX15
SCHEMBL1788942 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDALOX15ERCC1
SCHEMBL1790034 0.79 LMNA (0.41) SMN1; SMN2TP53HPGDPOLBLMNA
SCHEMBL1787607 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDALOX15POLB
SCHEMBL1789814 0.78 ERCC1 (0.47) TP53HPGDPOLBERCC1ERCC4
SCHEMBL1790075 0.77 P2RX7 (0.48)

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 ACHE 624/4885BACE1 1655/4885ALDH1A1 1526/4885

“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.