SCHEMBL2109196

SCHEMBL2109196

NCc1ccc2c(c1)C1(CCN(C(=O)c3cn(Cc4ccccc4)c4ccccc34)CC1)CO2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.61
PRSS2 P07478 11/20 0.61
PRSS3 P35030 11/20 0.61
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL2107810 0.87 PRSS1 (0.61) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109366 0.80 PRSS1 (0.74) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110665 0.80 PRSS1 (0.57) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110345 0.79 PRSS1 (0.70) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2111422 0.79 PRSS1 (0.64) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109971 0.78 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109719 0.77 PRSS1 (0.68) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109886 0.77 PRSS1 (0.69) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109637 0.77 PRSS1 (0.65) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL12601213 0.76 PRSS1 (0.52) 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 6 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 claimed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US claimed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US claimed
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP disclosed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 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 (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.