SCHEMBL4770941

SCHEMBL4770941

O=C(Nc1cccnc1)Nc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
TP53 P04637 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
PKM P14618 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
THPO P40225 1/20 0.60
HIF1A Q16665 1/20 0.60
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
HRH3 Q9Y5N1 3/20 0.55
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
POLB P06746 1/20 0.48
ROCK2 O75116 1/20 0.47

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
SCHEMBL4774290 0.86 HRH3 (0.50) NPC1RAB9AHRH3MEN1KMT2A
SCHEMBL4768190 0.86 NPC1 (0.67) NPC1RAB9ATP53CYP2D6NFKB1
SCHEMBL4767429 0.86 RAB9A (0.55) NPC1RAB9ATP53NFKB1HIF1A
SCHEMBL1790056 0.83 HRH3 (0.55) CYP1A2CYP2D6TSHRMAPTSMN1; SMN2
SCHEMBL5463689 0.83 NAMPT (0.54) NPC1RAB9ATSHRSMN1; SMN2HRH3
SCHEMBL4771974 0.82 CREBBP (0.58) NPC1RAB9ATP53NFKB1SMN1; SMN2
SCHEMBL4772436 0.81 HRH3 (0.52) NPC1RAB9ATP53NFKB1MAPT
SCHEMBL4775079 0.80 MEN1 (0.52) NPC1RAB9ATP53TSHRMAPT
SCHEMBL4770984 0.80 RORC (0.54) NPC1RAB9ATSHRMAPTMEN1
SCHEMBL4770989 0.80 SMN1; SMN2 (0.71) NPC1RAB9ATP53PKMTSHR

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
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 NPC1 2009/4885RAB9A 2307/4885TP53 4863/4885

“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.