SCHEMBL6280484

SCHEMBL6280484

COC(=O)CNc1c(-c2cc(OC)cc(OC)c2)nc2c(OCc3ccccc3)cccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.47
ATP4B P51164 3/20 0.47
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
PSEN1 P49768 7/20 0.43
PSEN2 P49810 7/20 0.43
APH1B Q8WW43 7/20 0.43
NCSTN Q92542 7/20 0.43
APH1A Q96BI3 7/20 0.43
PSENEN Q9NZ42 7/20 0.43
TRPA1 O75762 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL6283053 0.91 GAA (0.53) ATP4AATP4BGAANPC1RAB9A
SCHEMBL6281999 0.83 ATP4A (0.59) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL6285674 0.79 ALOX5 (0.53) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL6283051 0.78 PSEN1 (0.49) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL28772943 0.72 ATP4A (0.50) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL6276725 0.72 CYP1A2 (0.46) ATP4AATP4BNPC1RAB9APSEN1
SCHEMBL28769725 0.71 ATP4A (0.54) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL22780031 0.68 GAA (0.71) GAANPC1RAB9AGFERTRPA1
SCHEMBL27701658 0.68 ATP4A (0.48) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL6642533 0.68 ALDH1A1 (0.65) GAANPC1RAB9AGFERTRPA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US claimed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP claimed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US claimed
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US disclosed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 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-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring OPRK1, GRIN3A, OPRM1 ATP4A 1990/4885ATP4B 2290/4885GAA 3464/4885

“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.