SCHEMBL5994169

SCHEMBL5994169

C[C@H](O)C1CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 3/20 0.39
CPB2 Q96IY4 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
DPP4 P27487 5/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP7 Q9UHL4 1/20 0.34
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5993908 1.00 CPN1 (0.39) CPN1CPB2ALDH1A1MEN1KMT2A
SCHEMBL5993912 1.00 CPN1 (0.39) CPN1CPB2ALDH1A1MEN1KMT2A
SCHEMBL14167608 0.88 CPN1 (0.37) CPN1CPB2ALDH1A1MEN1KMT2A
SCHEMBL22233424 0.88 CPN1 (0.37) CPN1CPB2ALDH1A1MEN1KMT2A
SCHEMBL25258283 0.88 CPN1 (0.37) CPN1CPB2ALDH1A1MEN1KMT2A
SCHEMBL25291875 0.88 CPN1 (0.37) CPN1CPB2ALDH1A1MEN1KMT2A
SCHEMBL12411234 0.84 CPN1 (0.40) CPN1CPB2ALDH1A1MEN1KMT2A
SCHEMBL28856946 0.84 HRH3 (0.46) CPN1CPB2ALDH1A1MEN1KMT2A
SCHEMBL15140789 0.83 MEN1 (0.42) CPN1CPB2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27577125 0.83 CPN1 (0.39) CPN1CPB2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1602196-A Ureas of 2-aminobenzothiazoles as adenosine modulators HOFFMANN LA ROCHE (CH) 2005-03-30 CN claimed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US 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
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 US disclosed
CN-1602196-A Ureas of 2-aminobenzothiazoles as adenosine modulators HOFFMANN LA ROCHE (CH) 2005-03-30 CN 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 CPN1 3752/4885CPB2 2328/4885ALDH1A1 512/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B CPN1 3752/4885CPB2 2328/4885ALDH1A1 512/4885

“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.