SCHEMBL6276745

SCHEMBL6276745

CCCCNc1c(C2CCCCC2)nc2cccc(CCC)n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TLR9 Q9NR96 1/20 0.33
MERTK Q12866 2/20 0.33
HPGD P15428 2/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
GAS6 Q14393 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CTSK P43235 3/20 0.32
CTSS P25774 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CXCR4 P61073 1/20 0.30

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
SCHEMBL5167594 0.77 ATM (0.37) ATMNPC1RAB9ATLR9MERTK
SCHEMBL6276747 0.77 ATM (0.46) ATMNPC1RAB9AHPGDNPSR1
SCHEMBL5166860 0.73 ALDH1A1 (0.52) ATMNPC1RAB9ATLR9HPGD
SCHEMBL6944016 0.72 BACE1 (0.40) NPSR1KDM4EALDH1A1
SCHEMBL7017893 0.72 BACE1 (0.38) NPSR1KDM4EALDH1A1
SCHEMBL7017885 0.72 BACE1 (0.38) NPSR1KDM4EALDH1A1
SCHEMBL1966796 0.72 ATM (0.49) ATMNPC1RAB9AKDM4EALDH1A1
SCHEMBL1967026 0.68 ATM (0.46) ATMNPC1RAB9AKDM4EALDH1A1
SCHEMBL27701656 0.67 MCHR1 (0.32) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL1970088 0.65 BACE1 (0.48) KDM4EALDH1A1CYP3A4TSHR

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 11 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
JP-2003517466-A 2003-05-27 JP claimed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US claimed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 WO claimed
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US disclosed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP disclosed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US disclosed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 WO 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 ATM 4457/4885NPC1 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.