SCHEMBL3655822

SCHEMBL3655822

NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(-c4ccccc4)o3)CC1)NC2=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.62
PRSS2 P07478 11/20 0.62
PRSS3 P35030 11/20 0.62
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PDE4B Q07343 2/20 0.43
NPY5R Q15761 1/20 0.41
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL3438814 0.84 PRSS1 (0.67) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3673049 0.79 PRSS1 (0.72) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10278686 0.78 PRSS1 (0.69) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2111236 0.77 PRSS1 (1.00) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10279063 0.75 PRSS1 (0.67) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438867 0.75 PRSS1 (0.55) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10278789 0.74 PRSS1 (0.66) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3658018 0.74 PRSS1 (0.66) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3662216 0.73 PRSS1 (0.65) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3655376 0.73 PRSS1 (0.65) 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.