SCHEMBL8045185

SCHEMBL8045185

CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(CNC(=O)c3ccccc3C=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PRSS1 P07477 6/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL8044285 0.87 HDAC1 (0.43) TP53HDAC1HDAC8HDAC6LMNA
SCHEMBL3662029 0.86 PRSS1 (0.42) PRSS1PRSS2PRSS3POLBMAOA
SCHEMBL3654964 0.84 PRSS1 (0.42) PRSS1PRSS2PRSS3POLBMAOA
SCHEMBL2110718 0.81 SMN1; SMN2 (0.49) TP53HDAC1HDAC8HDAC6LMNA
SCHEMBL8051490 0.81 POLB (0.42) PRSS1PRSS2PRSS3POLBLMNA
SCHEMBL3678665 0.81 PRSS1 (0.68) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL13830388 0.80 PRSS1 (0.46) HDAC1HDAC8HDAC6PRSS1PRSS2
SCHEMBL3438853 0.79 PRSS1 (0.47) HDAC1HDAC8HDAC6PRSS1PRSS2
SCHEMBL2109867 0.78 PRSS1 (0.58) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL14898228 0.78 PRSS1 (0.42) HDAC1PRSS1PRSS2PRSS3MAOA

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 3 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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 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 (1 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 TP53 4763/4885HDAC1 1025/4885HDAC8 1642/4885

“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.