SCHEMBL17037682

SCHEMBL17037682

N#CN1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.56
SIGMAR1 Q99720 1/20 0.53
OPRD1 P41143 1/20 0.50
AVPR1A P37288 3/20 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
SCHEMBL6919513 0.81 SIGMAR1 (0.57) SIGMAR1OPRD1
SCHEMBL9615977 0.80 SIGMAR1 (0.54) SIGMAR1OPRD1AVPR1A
SCHEMBL15963361 0.80 SIGMAR1 (0.59) SIGMAR1OPRD1AVPR1A
SCHEMBL12183893 0.80 SIGMAR1 (0.56) SIGMAR1OPRD1AVPR1A
SCHEMBL24507144 0.80 SIGMAR1 (0.59) SIGMAR1OPRD1AVPR1A
SCHEMBL8010724 0.79 SIGMAR1 (0.66) SIGMAR1
SCHEMBL13610481 0.77 SIGMAR1 (0.53) SIGMAR1OPRD1AVPR1A
SCHEMBL5907598 0.77 SIGMAR1 (0.52) SIGMAR1OPRD1AVPR1A
SCHEMBL13337854 0.76 SIGMAR1 (0.43) SIGMAR1OPRD1AVPR1A
SCHEMBL13664909 0.76 SIGMAR1 (0.52) SIGMAR1OPRD1AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107916-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2019-03-20 EP disclosed
EP-3107916-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2019-03-20 EP disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
WO-2015124541-A1 SPIRO-OXAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2015-08-27 WO 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-20160355522-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 OTUD7B 870/4885SIGMAR1 178/4885OPRD1 6/4885

“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.