SCHEMBL1789361

SCHEMBL1789361

Cn1nccc1NC(=O)Cc1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
MAPK8 P45983 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL1789593 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL1789359 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL1790059 0.78 ALDH1A1 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL1788017 0.78 LMNA (0.55) LMNAKMT2APRMT5WDR77HTT
SCHEMBL1786585 0.76 HPGD (0.46) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL1786865 0.75 SMN1; SMN2 (0.56) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
Potassium Ion SCHEMBL1787642 0.74 ALDH1A1 (0.34) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL1790557 0.74 ALDH1A1 (0.37) ALDH1A1LMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL1788740 0.74 SIGMAR1 (0.40) LMNASMN1; SMN2KMT2APRMT5WDR77
SCHEMBL1787046 0.74 LIPE (0.38) ALDH1A1LMNASMN1; SMN2MAPTMEN1

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 1526/4885LMNA 2172/4885HPGD 1107/4885

“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.