SCHEMBL3568968

SCHEMBL3568968

CCOC(=O)N1CCC(Nc2nc3cc(OC(F)(F)F)ccc3o2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.60
KCNH2 Q12809 1/20 0.47
NOS2 P35228 5/20 0.47
NOS1 P29475 4/20 0.47
NOS3 P29474 2/20 0.46
SSTR1 P30872 1/20 0.46
MAP4K4 O95819 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3565666 0.84 MAP4K4 (0.54) SSTR5KCNH2NOS2NOS1NOS3
SCHEMBL3577996 0.84 NOS2 (0.59) SSTR5KCNH2NOS2NOS1NOS3
SCHEMBL3571998 0.81 SSTR5 (0.61) SSTR5KCNH2NOS2NOS1NOS3
SCHEMBL3573616 0.81 SSTR5 (0.62) SSTR5NOS2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3570794 0.80 SSTR5 (0.61) SSTR5KCNH2NOS2NOS1NOS3
SCHEMBL3569263 0.80 SSTR5 (0.64) SSTR5KCNH2NOS2NOS1NOS3
Bromide SCHEMBL9774884 0.80 SSTR5 (0.61) SSTR5NOS2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3569354 0.79 SSTR5 (0.62) SSTR5KCNH2NOS2NOS1NOS3
SCHEMBL1121827 0.78 ALDH1A1 (0.61) SSTR5NOS2NOS1NOS3SSTR1
SCHEMBL3578252 0.78 SSTR5 (0.59) SSTR5NOS2NOS1NOS3SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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 (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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 SSTR5 1/4885KCNH2 1728/4885NOS2 1447/4885

“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.