SCHEMBL4765613

SCHEMBL4765613

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX5 P09917 1/20 0.53
RAB9A P51151 10/20 0.53
NPC1 O15118 9/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
EPHX1 P07099 7/20 0.51
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL4768190 0.83 NPC1 (0.67) MEN1KMT2ACYP2D6RAB9ANPC1
SCHEMBL4765355 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EHPGDRAB9A
SCHEMBL5459684 0.82 HRH3 (0.53) MEN1CYP2C19KMT2ACYP3A4CYP2D6
SCHEMBL4774168 0.82 HRH3 (0.53) MEN1KMT2ACYP2D6RAB9ANPC1
SCHEMBL4772402 0.81 HRH3 (0.66) ALDH1A1KDM4ECYP2D6MAPTHPGD
SCHEMBL4774290 0.81 HRH3 (0.50) MEN1ALDH1A1KMT2AKDM4ERAB9A
SCHEMBL4767666 0.81 CYP3A4 (0.58) MEN1ALDH1A1CYP2C19KMT2AKDM4E
SCHEMBL4768153 0.80 LMNA (0.56) MEN1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL4775935 0.79 EPHX1 (0.48) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL4771050 0.79 CYP3A4 (0.56) MEN1CYP2C19KMT2ACYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed

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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 EPHX2 447/4885MEN1 2213/4885ALDH1A1 1725/4885

“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.