SCHEMBL4765583

SCHEMBL4765583

N#Cc1nccnc1N1CCN(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
PANK3 Q9H999 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NAMPT P43490 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL4765155 0.81 PANK3 (0.54) HRH3PANK3NAMPTCYP3A4CYP2D6
SCHEMBL4774219 0.81 PANK3 (0.58) HRH3PANK3NAMPTTRPV1PDGFRB
SCHEMBL4767928 0.81 NAMPT (0.51) HRH3NAMPTKDM4EALDH1A1
SCHEMBL4771050 0.79 CYP3A4 (0.56) HRH3NAMPTCYP3A4CYP2D6CYP2C19
SCHEMBL4767666 0.78 CYP3A4 (0.58) HRH3NAMPTCYP3A4CYP2D6CYP2C19
SCHEMBL4772344 0.78 MAPT (0.58) HRH3CA12CA1CA2CA9
SCHEMBL4767933 0.77 RAB9A (0.52) HRH3NAMPTCYP3A4CYP2D6CYP2C19
SCHEMBL4772427 0.76 CCR2 (0.46) HRH3NAMPTCYP3A4CYP2D6CYP2C19
SCHEMBL4767360 0.76 NAMPT (0.59) NAMPT
SCHEMBL4765431 0.75 HRH3 (0.58) HRH3CYP3A4CYP2D6CYP2C19KDM4E

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 1/4885PANK3 1554/4885CA12 4222/4885

“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.