SCHEMBL4770878

SCHEMBL4770878

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.59
RAB9A P51151 15/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
MAPT P10636 6/20 0.59
PKM P14618 3/20 0.59
ALDH1A1 P00352 3/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
HPGD P15428 2/20 0.55
RECQL P46063 1/20 0.55
CASP3 P42574 7/20 0.53
SENP7 Q9BQF6 7/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
SENP6 Q9GZR1 3/20 0.53
SENP8 Q96LD8 2/20 0.53
LMNA P02545 2/20 0.53
MAOB P27338 1/20 0.53
TP53 P04637 2/20 0.53

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
SCHEMBL4768701 0.94 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTPKM
Trifluoroacetic Acid SCHEMBL4775284 0.93 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL4771412 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTNFKB1
Trifluoroacetic Acid SCHEMBL4770312 0.88 MAOB (0.49) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL4765225 0.81 HRH3 (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4765905 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4768058 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL4768140 0.81 SLC2A1 (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4774628 0.81 TMPRSS2 (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4770319 0.81 HRH3 (0.41) NPC1RAB9ASMN1; SMN2MAPTPKM

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 disclosed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US 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 2307/4885SMN1; SMN2 2487/4885

“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.