SCHEMBL4772436

SCHEMBL4772436

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cncc(-c2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
ROCK2 O75116 6/20 0.51
ABL1 P00519 1/20 0.49
OPRM1 P35372 1/20 0.49
KCNH2 Q12809 1/20 0.49
CREBBP Q92793 1/20 0.49
MCHR1 Q99705 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL4771974 0.91 CREBBP (0.58) HRH3ROCK2CREBBPMCHR1NPC1
SCHEMBL4767429 0.90 RAB9A (0.55) HRH3NPC1RAB9AKDM4EMEN1
SCHEMBL4768415 0.87 HRH3 (0.49) HRH3ROCK2CREBBPNPC1RAB9A
SCHEMBL4767935 0.84 ABL1 (0.50) HRH3ROCK2ABL1CREBBPNPC1
SCHEMBL4764960 0.84 ROCK2 (0.50) HRH3ROCK2ABL1CREBBPMCHR1
SCHEMBL4766939 0.83 NPC1 (0.56) HRH3ROCK2NPC1RAB9AKDM4E
SCHEMBL4770289 0.83 HRH3 (0.51) HRH3NPC1RAB9AKDM4EMEN1
SCHEMBL4765151 0.82 HRH3 (0.46) HRH3ROCK2CREBBPMCHR1NPC1
SCHEMBL4768020 0.82 SLC2A1 (0.53) HRH3CREBBPNPC1RAB9AKDM4E
SCHEMBL4770941 0.81 NPC1 (0.60) HRH3ROCK2NPC1RAB9AKDM4E

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-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
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 HRH3 1/4885ROCK2 3702/4885ABL1 970/4885

“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.