SCHEMBL3577272

SCHEMBL3577272

c1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.53
ELANE P08246 1/20 0.51
PCSK9 Q8NBP7 1/20 0.50
SSTR5 P35346 11/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CXCR3 P49682 1/20 0.47
CYP1A2 P05177 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
HRH1 P35367 3/20 0.44
HTR2B P41595 2/20 0.44

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
Bromide SCHEMBL3570691 0.98 OPRK1 (0.52) OPRK1ELANEPCSK9SSTR5NPC1
SCHEMBL3952272 0.89 OPRK1 (0.59) OPRK1ELANEPCSK9SSTR5NPC1
SCHEMBL16666111 0.86 ELANE (0.62) OPRK1ELANEPCSK9SSTR5NPC1
Isonicotinic Acid SCHEMBL28775028 0.85 ELANE (0.45) OPRK1ELANEPCSK9SSTR5NPC1
SCHEMBL5065261 0.84 ELANE (0.65) OPRK1ELANEPCSK9SSTR5NPC1
SCHEMBL7698249 0.82 OPRK1 (0.53) OPRK1ELANEPCSK9SSTR5NPC1
SCHEMBL3453495 0.81 ELANE (0.78) ELANENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12966291 0.81 OPRK1 (0.53) OPRK1ELANEPCSK9SSTR5NPC1
SCHEMBL1121730 0.81 SSTR5 (0.47) OPRK1ELANEPCSK9SSTR5ALDH1A1
SCHEMBL21047795 0.81 ELANE (0.53) OPRK1ELANEPCSK9SSTR5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US claimed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
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-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
CN-1205185-C Nitrogen-containing cyclic compound and pharmaceutical composition containing the same EISAI CO LTD (JP) 2005-06-08 CN disclosed
CN-1395562-A Nitrogenous cyclic compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2003-02-05 CN disclosed
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US disclosed
EP-0184257-B1 BENZOXAZOL- AND BENZOTHIAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-25 EP disclosed
US-4861785-A Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
EP-0184257-A1 Benzoxazol- and benzothiazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP 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 OPRK1 573/4885ELANE 3398/4885PCSK9 1782/4885

“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.