SCHEMBL5501263

SCHEMBL5501263

O=C(O)N1C[C@@H]2CC[C@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.33
NPC1 O15118 7/20 0.33
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.32
GRM5 P41594 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL17057328 1.00 RAB9A (0.33) RAB9ANPC1KMT2ACNR2GRM5
SCHEMBL6530407 0.87 MCOLN3 (0.38) RAB9ANPC1KMT2A
SCHEMBL5035956 0.86 SOST (0.35) CHRNA7
SCHEMBL29925123 0.83
SCHEMBL18312023 0.82 RAB9A (0.33) RAB9ANPC1KMT2ACNR2CHRNB2
SCHEMBL25010722 0.80 CHRNB2 (0.39) RAB9ANPC1KMT2ACNR2GRM5
SCHEMBL17037033 0.80 CHRNB2 (0.39) RAB9ANPC1KMT2ACNR2GRM5
SCHEMBL29850875 0.79 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL25355436 0.79 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL26694786 0.77

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-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
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-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 RAB9A 2919/4885NPC1 435/4885KMT2A 2874/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B RAB9A 2919/4885NPC1 435/4885KMT2A 2874/4885

“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.