SCHEMBL3658172

SCHEMBL3658172

CCOC(=O)C(=O)N1CC2(CCN(C(=O)c3ccc(-c4ccccc4)o3)CC2)c2cc(CN)ccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.59
PRSS2 P07478 13/20 0.59
PRSS3 P35030 13/20 0.59
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PDE4B Q07343 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL3676898 0.88 PRSS1 (0.66) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3658018 0.87 PRSS1 (0.66) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438819 0.87 PRSS1 (0.67) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10279063 0.86 PRSS1 (0.67) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10288439 0.84 PRSS1 (0.62) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10278789 0.84 PRSS1 (0.66) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3658142 0.84 PRSS1 (0.52) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3655807 0.83 PRSS1 (0.60) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3676890 0.83 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10288436 0.83 PRSS1 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 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 (2 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 PRSS1 7/4885PRSS2 33/4885PRSS3 9/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 PRSS1 7/4885PRSS2 33/4885PRSS3 9/4885

“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.