SCHEMBL6283053

SCHEMBL6283053

COC(=O)CNc1c(-c2ccccc2)nc2c(OCc3ccccc3)cccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GFER P55789 1/20 0.53
ATP4A P20648 3/20 0.49
ATP4B P51164 3/20 0.49
PSEN1 P49768 9/20 0.47
PSEN2 P49810 9/20 0.47
APH1B Q8WW43 9/20 0.47
NCSTN Q92542 9/20 0.47
APH1A Q96BI3 9/20 0.47
PSENEN Q9NZ42 9/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
TRPA1 O75762 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45

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
SCHEMBL6280484 0.91 ATP4A (0.47) GAANPC1RAB9AGFERATP4A
SCHEMBL6281999 0.88 ATP4A (0.59) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL6283051 0.83 PSEN1 (0.49) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL22780031 0.77 GAA (0.71) GAANPC1RAB9AGFERALDH1A1
SCHEMBL6642533 0.76 ALDH1A1 (0.65) GAANPC1RAB9AGFERALDH1A1
SCHEMBL6276725 0.76 CYP1A2 (0.46) NPC1RAB9AATP4AATP4BPSEN1
SCHEMBL28769725 0.76 ATP4A (0.54) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL6276279 0.74 ALOX5 (0.56) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL28772943 0.74 ATP4A (0.50) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL27701658 0.72 ATP4A (0.48) ATP4AATP4BPSEN1PSEN2APH1B

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 GAA 3464/4885NPC1 956/4885RAB9A 2220/4885

“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.