SCHEMBL3661339

SCHEMBL3661339

COC(=O)c1cccc(S(=O)(=O)N2CC3(CCN(C(=O)c4ccc(-c5ccccc5)o4)CC3)c3cc(CN)ccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.62
PRSS2 P07478 8/20 0.62
PRSS3 P35030 8/20 0.62
NPY5R Q15761 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GNRHR P30968 1/20 0.38
PAX8 Q06710 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
LOXL2 Q9Y4K0 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
SCHEMBL3652041 0.93 PRSS1 (0.65) PRSS1PRSS2PRSS3NPY5RMAOA
SCHEMBL3661046 0.90 PRSS1 (0.74) PRSS1PRSS2PRSS3NPY5RMAOA
SCHEMBL2920809 0.88 PRSS1 (0.81) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3671728 0.87 PRSS1 (0.58) PRSS1PRSS2PRSS3NPY5RMAOA
SCHEMBL10279062 0.86 PRSS1 (0.67) PRSS1PRSS2PRSS3NPY5RMAOA
SCHEMBL3654666 0.86 PRSS1 (0.57) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3661866 0.84 PRSS1 (0.64) PRSS1PRSS2PRSS3NPY5RMAOA
SCHEMBL3673660 0.84 PRSS1 (0.61) PRSS1PRSS2PRSS3NPY5RMAOA
SCHEMBL3662216 0.84 PRSS1 (0.65) PRSS1PRSS2PRSS3NPY5RMAOA
SCHEMBL3655376 0.84 PRSS1 (0.65) PRSS1PRSS2PRSS3NPY5RMAOA

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.