SCHEMBL2108237

SCHEMBL2108237

NCc1ccc2c(c1)C1(CCN(C(=O)C=Cc3cccc(OCCc4ccccc4)c3)CC1)CO2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.56
PRSS2 P07478 9/20 0.56
PRSS3 P35030 9/20 0.56
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR5 Q9H228 2/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2108231 1.00 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109406 0.92 PRSS1 (0.53) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109404 0.92 PRSS1 (0.53) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110631 0.91 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110635 0.91 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109993 0.89 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109697 0.89 PRSS1 (0.47) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109694 0.89 PRSS1 (0.47) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109988 0.89 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109791 0.88 PRSS1 (0.54) 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 7 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
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP 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.