SCHEMBL8033906

SCHEMBL8033906

CCOCCOc1cccc(/C=C/C(=O)C2CCC3(CC2)COc2ccc(CN)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
PRSS1 P07477 9/20 0.39
PRSS2 P07478 9/20 0.39
PRSS3 P35030 9/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
EPHX2 P34913 1/20 0.35

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
SCHEMBL8044313 0.92 PRSS1 (0.41) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL8042785 0.90 PRSS1 (0.41) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL2109694 0.88 PRSS1 (0.47) APPPRSS1PRSS2PRSS3MAOA
SCHEMBL2109697 0.88 PRSS1 (0.47) APPPRSS1PRSS2PRSS3MAOA
SCHEMBL2110635 0.79 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110631 0.79 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109988 0.78 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109993 0.78 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8046395 0.78 PRSS1 (0.46) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2108237 0.77 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB

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-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 APP 2189/4885PRSS1 7/4885PRSS2 33/4885

“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.