SCHEMBL2108691

SCHEMBL2108691

O=[C]c1ccc(C#Cc2ccccc2Cl)o1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.40
GRM5 P41594 4/20 0.39
FFAR1 O14842 1/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
IKBKB O14920 1/20 0.33
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2109413 0.79 GRM5 (0.39) PTGDR2GRM5PRSS1PRSS2PRSS3
SCHEMBL2108729 0.79 TSHR (0.39) GRM5FFAR1PRSS1PRSS2PRSS3
SCHEMBL2108693 0.78 KCNH2 (0.39) KCNH2PTGDR2GRM5FFAR1PRSS1
SCHEMBL2637393 0.77 ALDH1A1 (0.50) PTGDR2FFAR1PRSS1PRSS2PRSS3
SCHEMBL256086 0.76 KCNH2 (0.44) KCNH2PTGDR2GRM5FFAR1PRSS1
SCHEMBL9967677 0.76 KCNH2 (0.44) KCNH2PTGDR2GRM5FFAR1PRSS1
SCHEMBL30707788 0.76 KCNH2 (0.61) KCNH2PTGDR2GRM5FFAR1IKBKB
SCHEMBL4448140 0.76 KCNH2 (0.61) KCNH2PTGDR2GRM5FFAR1IKBKB
SCHEMBL2109621 0.73 KDM4E (0.51) KCNH2GRM5FFAR1LMNATSHR
SCHEMBL97421 0.71

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 11 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-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
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 KCNH2 716/4885PTGDR2 171/4885GRM5 1591/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 KCNH2 716/4885PTGDR2 171/4885GRM5 1591/4885

“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.