SCHEMBL15066367

SCHEMBL15066367

CCOCCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CA3 P07451 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA13 Q8N1Q1 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PTGS2 P35354 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL10615560 0.98 CA1 (0.42) CA1CA2CA12CA9CA14
SCHEMBL10615596 0.90 CA1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL10615554 0.90 CA1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL30865768 0.88 CA1 (0.53) CA1CA2CA12CA9CA14
SCHEMBL21111084 0.86 CA1 (0.42) CA1CA2CA12CA9CA14
SCHEMBL10616867 0.86 CA1 (0.42) CA1CA2CA12CA9CA14
SCHEMBL8410316 0.86 CA1 (0.42) CA1CA2CA12CA9CA14
SCHEMBL8978089 0.86 CA1 (0.42) CA1CA2CA12CA9CA14
SCHEMBL20257485 0.86 CA1 (0.45) CA1CA2CA12CA9CA14
SCHEMBL27935675 0.85 CA1 (0.47) CA1CA2CA12CA9CA14

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-2797870-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING 1-[1-PHENYL-CYCLOBUTYL]ISOBUTYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives Revivia Pharmaceuticals, Inc. (US) 2018-07-31 US disclosed
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2018-05-10 US disclosed
US-9695116-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-04-28 US disclosed
US-9238625-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2016-01-19 US disclosed
EP-2797870-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES Reviva Pharmaceuticals, Inc. (US) 2014-11-05 EP disclosed
US-20140024679-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
WO-2013102195-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2013-07-04 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 (4 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-20140024679-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CA1 3296/4885CA2 3180/4885CA12 3181/4885
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives PNMT, HTR6, COMT CA1 3296/4885CA2 3180/4885CA12 3181/4885
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CA1 3296/4885CA2 3180/4885CA12 3181/4885
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CA1 3296/4885CA2 3180/4885CA12 3181/4885

“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.