SCHEMBL2107128

SCHEMBL2107128

O=[C]c1cc(C#Cc2ccccc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
GRM4 Q14833 1/20 0.46
APP P05067 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
FFAR1 O14842 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40

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
SCHEMBL6461001 0.80
SCHEMBL3498257 0.73 ASIC3 (0.54) GRM5GRM4APPASIC3CA12
SCHEMBL16139763 0.73 GRM5 (0.57) GRM5GRM4APPASIC3FFAR1
SCHEMBL7019053 0.73 PLAU (0.43) ASIC3
SCHEMBL3500649 0.73 FFAR1 (0.56) GRM5GRM4APPASIC3FFAR1
SCHEMBL23918702 0.73 FFAR1 (0.56) GRM5GRM4APPASIC3FFAR1
SCHEMBL1202476 0.73 KDM4E (0.52) GRM5APPASIC3FFAR1
SCHEMBL2107129 0.73 GRM5 (0.45) GRM5GRM4APPASIC3FFAR1
SCHEMBL7057192 0.71 APP (0.57) GRM5APPFFAR1CA12CA1
SCHEMBL1206481 0.70 GRM4 (0.50) GRM5GRM4APP

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 GRM5 1591/4885GRM4 1389/4885APP 2189/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 GRM5 1591/4885GRM4 1389/4885APP 2189/4885

“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.