SCHEMBL2929446

SCHEMBL2929446

O=C(CN1CCCCC1)NC1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.58
ALDH1A1 P00352 5/20 0.58
CHRM5 P08912 3/20 0.58
CHRM3 P20309 2/20 0.58
MAPK1 P28482 1/20 0.58
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CHRM1 P11229 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 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
SCHEMBL2930549 0.88 SIGMAR1 (0.67) SIGMAR1ALDH1A1CHRM5CHRM3MAPK1
SCHEMBL10304524 0.87 SIGMAR1 (0.67) SIGMAR1ALDH1A1CHRM5CHRM3MAPK1
SCHEMBL6479844 0.86 SIGMAR1 (0.75) SIGMAR1ALDH1A1CHRM5CHRM3MAPK1
SCHEMBL13640016 0.84 SIGMAR1 (0.72) SIGMAR1ALDH1A1CHRM5CHRM3MAPK1
SCHEMBL2556726 0.81 SIGMAR1 (0.46) SIGMAR1ALDH1A1CHRM5CHRM3MAPK1
SCHEMBL18939245 0.80 SMN1; SMN2 (0.51) SIGMAR1ALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL2557931 0.80 SIGMAR1 (0.46) SIGMAR1ALDH1A1CHRM5CHRM3MAPK1
SCHEMBL23573392 0.79 ALDH1A1 (0.55) SIGMAR1ALDH1A1CHRM5CHRM3CA12
SCHEMBL23573390 0.79 ALDH1A1 (0.55) SIGMAR1ALDH1A1CHRM5CHRM3CA12
SCHEMBL14174994 0.78 SIGMAR1 (0.59) SIGMAR1ALDH1A1CHRM5CHRM3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
EP-2767536-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2014-08-20 EP disclosed
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-24 US disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 US disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 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 (6 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 SIGMAR1 165/4885ALDH1A1 938/4885CHRM5 40/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 SIGMAR1 163/4885ALDH1A1 955/4885CHRM5 43/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 SIGMAR1 163/4885ALDH1A1 955/4885CHRM5 43/4885
US-20130281690-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 SIGMAR1 163/4885ALDH1A1 955/4885CHRM5 43/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 SIGMAR1 163/4885ALDH1A1 955/4885CHRM5 43/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 SIGMAR1 163/4885ALDH1A1 955/4885CHRM5 43/4885

“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.