SCHEMBL2109847

SCHEMBL2109847

O=CNCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CO2

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 15/20 0.77
PRSS2 P07478 15/20 0.77
PRSS3 P35030 15/20 0.77
MAOA P21397 1/20 0.77
MAOB P27338 1/20 0.77
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL3438811 0.91 PRSS1 (0.81) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110650 0.87 PRSS1 (1.00) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438852 0.87 PRSS1 (0.83) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438812 0.87 PRSS1 (0.77) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8054572 0.87 PRSS1 (0.69) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109231 0.85 PRSS1 (0.87) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10254052 0.85 PRSS1 (0.79) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL15255516 0.85 PRSS1 (0.79) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3652809 0.84 PRSS1 (0.75) PRSS1PRSS2PRSS3MAOAMAOB
Benzoic Acid SCHEMBL2921087 0.83 PRSS1 (0.92) 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 16 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
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP claimed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US claimed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO claimed
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
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
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
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
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.