SCHEMBL5499445

SCHEMBL5499445

CC1(C)C2CC[C@@]1(C)CN(C(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.47
HIF1A Q16665 1/20 0.42
CTDSP1 Q9GZU7 3/20 0.33
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL8105937 0.76 SIGMAR1 (0.56) SIGMAR1HIF1AKDM4E
SCHEMBL8908632 0.76 SIGMAR1 (0.56) SIGMAR1HIF1AKDM4E
SCHEMBL8105933 0.76 SIGMAR1 (0.56) SIGMAR1HIF1AKDM4E
SCHEMBL8909808 0.76 SIGMAR1 (0.53) SIGMAR1HIF1A
SCHEMBL8909879 0.75 SIGMAR1 (0.43) SIGMAR1HIF1A
SCHEMBL8909799 0.75 SIGMAR1 (0.43) SIGMAR1HIF1ACTDSP1APOBEC3AAPOBEC3G
SCHEMBL8909815 0.74 SIGMAR1 (0.40) SIGMAR1HIF1A
SCHEMBL8910607 0.74 BPTF (0.49) SIGMAR1HIF1A
SCHEMBL8099508 0.74 SIGMAR1 (0.58) SIGMAR1
SCHEMBL8910605 0.73 SIGMAR1 (0.60) SIGMAR1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455792-B1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS HOFFMANN LA ROCHE (CH) 2007-04-18 EP claimed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US claimed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US claimed
EP-1455792-B1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS HOFFMANN LA ROCHE (CH) 2007-04-18 EP disclosed
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US disclosed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US disclosed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 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 (2 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-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B SIGMAR1 326/4885HIF1A 379/4885CTDSP1 2374/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B SIGMAR1 326/4885HIF1A 379/4885CTDSP1 2374/4885

“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.