SCHEMBL2108733

SCHEMBL2108733

Cc1ccccc1C#Cc1ccc(C=O)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.38
GRM5 P41594 3/20 0.36
ALDH1A1 P00352 7/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 1/20 0.36
CHRM2 P08172 1/20 0.35
S1PR1 P21453 1/20 0.35
FPR1 P21462 1/20 0.35
FPR3 P25089 1/20 0.35
GPR183 P32249 1/20 0.35
APLNR P35414 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2107742 0.81 GRM5 (0.38) FFAR1GRM5ALDH1A1TSHRGAA
SCHEMBL2109417 0.81 ALDH1A1 (0.37) GRM5ALDH1A1TSHRGAAPRSS1
SCHEMBL2108693 0.81 KCNH2 (0.39) FFAR1GRM5ALDH1A1TSHRGAA
SCHEMBL2108729 0.78 TSHR (0.39) FFAR1GRM5ALDH1A1TSHRCHRM2
SCHEMBL2109624 0.76 KDM4E (0.47) FFAR1GRM5ALDH1A1TSHRGAA
SCHEMBL2110165 0.73 CA12 (0.40) FFAR1GRM5ALDH1A1TSHRGAA
SCHEMBL28273863 0.72 TSHR (0.59) FFAR1GRM5ALDH1A1TSHRCHRM2
SCHEMBL3644208 0.72 TSHR (0.62) FFAR1GRM5ALDH1A1TSHRCHRM2
SCHEMBL30666154 0.72 TSHR (0.62) FFAR1GRM5ALDH1A1TSHRCHRM2
SCHEMBL1252899 0.71 ERN1 (0.47) FFAR1GRM5

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 FFAR1 1335/4885GRM5 1591/4885ALDH1A1 450/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 FFAR1 1335/4885GRM5 1591/4885ALDH1A1 450/4885

“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.