SCHEMBL2110165

SCHEMBL2110165

Cc1ccc(C#Cc2ccc(C=O)o2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
GRM5 P41594 2/20 0.38
GAA P10253 1/20 0.38
FFAR1 O14842 2/20 0.36
CYP2A6 P11509 2/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ACACB O00763 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2109624 0.82 KDM4E (0.47) CA12CA2CA9CA1GRM5
SCHEMBL2107742 0.78 GRM5 (0.38) GRM5GAAFFAR1ALDH1A1L3MBTL1
SCHEMBL2110164 0.77 CA12 (0.43) CA12CA2CA9CA1GRM5
SCHEMBL2108733 0.73 FFAR1 (0.38) GRM5GAAFFAR1ALDH1A1L3MBTL1
SCHEMBL6827112 0.73 GAA (0.41) GAAALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL22779132 0.72 CYP2A6 (0.41) FFAR1CYP2A6ALDH1A1L3MBTL1KDM4E
SCHEMBL14230737 0.71 GAA (0.40) GAAALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL10223485 0.71 GAA (0.40) GAAALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL9967728 0.71 GRM5 (0.40) CA12CA2CA9CA1GRM5
SCHEMBL4453443 0.71 CYP2A6 (0.73) CA12CA2CA9CA1GRM5

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 12 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-3750881-A1 COMPOUND ACTING AS ANTIBIOTICS KBP Biosciences Co., Ltd. (CN) 2020-12-16 EP 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-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 CA12 2310/4885CA2 516/4885CA9 1425/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 CA12 2310/4885CA2 516/4885CA9 1425/4885

“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.