SCHEMBL1789814

SCHEMBL1789814

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
IDO1 P14902 1/20 0.40
DRD2 P14416 3/20 0.40
HTR2C P28335 2/20 0.40
HRH1 P35367 2/20 0.40
POLB P06746 2/20 0.39
SMO Q99835 1/20 0.38
SLC1A2 P43004 1/20 0.38
HPGD P15428 1/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
MAPK14 Q16539 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL1788201 0.86 MEN1 (0.46) IDO1HPGDTP53LMNATRPV1
SCHEMBL1790034 0.85 LMNA (0.41) POLBHPGDTP53LMNAMAPT
SCHEMBL1790237 0.83 CYP11B2 (0.37) IDO1DRD2TP53LMNAMAPK14
SCHEMBL1789972 0.81 KMT2A (0.42) LMNAMAPK14MAPT
SCHEMBL1787586 0.81 LMNA (0.39) HPGDTP53LMNATRPV1MAPT
SCHEMBL27283625 0.81 ERCC1 (0.60) ERCC1ERCC4DRD2HTR2CHRH1
SCHEMBL1791796 0.81 KMT2A (0.41) MAPK14MAPT
SCHEMBL1788760 0.80 ACHE (0.43) ERCC1ERCC4HPGD
SCHEMBL1786585 0.80 HPGD (0.46) HPGDLMNATRPV1MAPT
SCHEMBL1790517 0.79 LMNA (0.51) POLBTP53LMNAMAPK14

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 ERCC1 3275/4885ERCC4 3883/4885IDO1 252/4885

“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.