SCHEMBL3672390

SCHEMBL3672390

NCc1ccc2c(c1)C1(CCN(C=O)CC1)CN2S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.47
PRSS2 P07478 5/20 0.47
PRSS3 P35030 5/20 0.47
NPY5R Q15761 5/20 0.37
TACR1 P25103 9/20 0.36

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
SCHEMBL3655376 0.77 PRSS1 (0.65) PRSS1PRSS2PRSS3NPY5R
SCHEMBL2913163 0.75 PRSS1 (0.48) PRSS1PRSS2PRSS3NPY5R
SCHEMBL2911159 0.74 PRSS1 (0.85) PRSS1PRSS2PRSS3NPY5R
SCHEMBL2921980 0.74 PRSS1 (0.49) PRSS1PRSS2PRSS3NPY5RTACR1
SCHEMBL10287950 0.73 PRSS1 (0.39) PRSS1PRSS2PRSS3NPY5RTACR1
SCHEMBL3662216 0.69 PRSS1 (0.65) PRSS1PRSS2PRSS3NPY5R
SCHEMBL8047634 0.68 NPY5R (0.33) PRSS1PRSS2PRSS3NPY5R
SCHEMBL3661866 0.68 PRSS1 (0.64) PRSS1PRSS2PRSS3NPY5RTACR1
SCHEMBL14242298 0.68 NPY5R (0.56) NPY5RTACR1
SCHEMBL3661046 0.67 PRSS1 (0.74) PRSS1PRSS2PRSS3NPY5R

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.