SCHEMBL4774478

SCHEMBL4774478

O=C(N(C/C=C/c1ccccc1)c1ccc2c(c1)CCN(C1CCC1)CC2)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.41
CYP2D6 P10635 2/20 0.41
NPY2R P49146 4/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4768001 0.92 HRH3 (0.36) HRH3CYP2D6NPC1RAB9A
SCHEMBL4770272 0.91 DRD2 (0.38) HRH3CYP2D6NPY2RNPC1ALDH1A1
SCHEMBL4766888 0.89 KCNH2 (0.42) HRH3CYP2D6
SCHEMBL4774195 0.88 HRH3 (0.37) HRH3CYP2D6TMEM97SIGMAR1
SCHEMBL4771951 0.88 DRD2 (0.41) HRH3CYP2D6MAPT
SCHEMBL4765422 0.85 DRD2 (0.40) HRH3CYP2D6MEN1NPC1ALDH1A1
SCHEMBL4765539 0.74 HRH3 (0.62) HRH3CYP2D6
SCHEMBL4771920 0.73 HRH3 (0.42) HRH3CYP2D6ALDH1A1TMEM97SIGMAR1
SCHEMBL4770278 0.73 HRH3 (0.60) HRH3CYP2D6
SCHEMBL4774283 0.72 HRH3 (0.43) HRH3CYP2D6

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 1/4885CYP2D6 1672/4885NPY2R 1032/4885

“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.