SCHEMBL3577996

SCHEMBL3577996

CCOC(=O)N1CCC(Nc2nc3cc(Cl)ccc3o2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.59
NOS1 P29475 3/20 0.59
SSTR5 P35346 5/20 0.57
SSTR1 P30872 1/20 0.54
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
HCRTR2 O43614 2/20 0.51
HCRTR1 O43613 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NOS3 P29474 1/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KCNH2 Q12809 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL3578252 0.92 SSTR5 (0.59) NOS2NOS1SSTR5SSTR1KDM4E
SCHEMBL3565666 0.89 MAP4K4 (0.54) NOS2NOS1SSTR5SSTR1KDM4E
SCHEMBL3571998 0.85 SSTR5 (0.61) NOS2NOS1SSTR5SSTR1KDM4E
SCHEMBL3573616 0.85 SSTR5 (0.62) NOS2SSTR5KDM4EMEN1MAPT
SCHEMBL3570794 0.84 SSTR5 (0.61) NOS2NOS1SSTR5SSTR1MEN1
SCHEMBL3569263 0.84 SSTR5 (0.64) NOS2NOS1SSTR5SSTR1KDM4E
Bromide SCHEMBL9774884 0.84 SSTR5 (0.61) NOS2SSTR5KDM4EMEN1MAPT
SCHEMBL3568968 0.84 SSTR5 (0.60) NOS2NOS1SSTR5SSTR1KDM4E
SCHEMBL3569354 0.83 SSTR5 (0.62) NOS2NOS1SSTR5SSTR1KDM4E
SCHEMBL3570347 0.81 SSTR5 (0.64) NOS2NOS1SSTR5SSTR1KDM4E

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 NOS2 1447/4885NOS1 1364/4885SSTR5 1/4885

“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.