SCHEMBL5993589

SCHEMBL5993589

Cc1ccc(CC2(O)CCN(C(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 7/20 0.50
GRIN2B Q13224 5/20 0.50
GRIN2D O15399 4/20 0.50
GRIN3B O60391 4/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
GRIN2C Q14957 4/20 0.50
GRIN3A Q8TCU5 4/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1B P35368 1/20 0.50
MAPT P10636 1/20 0.49
AVPR1A P37288 5/20 0.48
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
AVPR1B P47901 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3833018 0.85 AVPR1A (0.62) CYP46A1AVPR1AOPRM1OPRD1OPRK1
SCHEMBL4634537 0.84 CYP46A1 (0.50) CYP46A1GRIN2BAVPR1AOPRM1OPRD1
SCHEMBL15537084 0.84 EPHX2 (0.53) CYP46A1GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7286163 0.84 KMT2A (0.59) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13231735 0.80 GRIN2D (0.57) CYP46A1GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL18911954 0.79 GRIN2B (0.51) CYP46A1GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL23365209 0.78 GRIN2B (0.45) CYP46A1GRIN2BAVPR1AOPRM1OPRD1
SCHEMBL15535961 0.78 FPR2 (0.51) CYP46A1AVPR1A
SCHEMBL21651971 0.78 GRIN2B (0.59) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9963240 0.76 GRIN2B (0.54) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 US claimed
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
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP claimed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US claimed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 WO 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
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP 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
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 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 (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 CYP46A1 947/4885GRIN2B 170/4885GRIN2D 770/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B CYP46A1 947/4885GRIN2B 170/4885GRIN2D 770/4885

“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.