SCHEMBL2110183

SCHEMBL2110183

COC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 3/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL1206178 0.88 KMT2A (0.58) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL2107588 0.84 KMT2A (0.63) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL3438848 0.83 HDAC7 (0.56) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL4801674 0.82 KMT2A (0.49) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL9030804 0.79 SLC6A3 (0.61) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL149438 0.78 KMT2A (0.60) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL30434619 0.78 KMT2A (0.60) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL14597968 0.78 HDAC1 (0.67) HDAC7HDAC1KMT2ACA1CA2
SCHEMBL1164954 0.77 KMT2A (0.70) KMT2ACA1CA2CA4CA9
SCHEMBL31753576 0.77 KMT2A (0.70) KMT2ACA1CA2CA4CA9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US 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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 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
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 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
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US 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 HDAC7 2066/4885HDAC1 1025/4885HDAC4 637/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 HDAC7 2066/4885HDAC1 1025/4885HDAC4 637/4885

“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.