SCHEMBL2108853

SCHEMBL2108853

CC(C)(C)OC(=O)N1CCC2(CCc3ccc(C=O)cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
NR1H2 P55055 1/20 0.43
HDAC1 Q13547 3/20 0.42
GPR119 Q8TDV5 8/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP30 Q70CQ3 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KDM1A O60341 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
GPR4 P46093 1/20 0.37

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
SCHEMBL17586453 0.83 ESR2 (0.45) ESR2NR1H2HDAC1GPR119NPC1
SCHEMBL4917653 0.83 MEN1 (0.48) ESR2NR1H2HDAC1GPR119NPC1
SCHEMBL2109651 0.82 RBP4 (0.51) HDAC1USP30ALOX15TSHRKDM1A
SCHEMBL3438854 0.81 GPR119 (0.47) ESR2NR1H2HDAC1GPR119NPC1
SCHEMBL2110412 0.81 PRSS1 (0.52) ESR2NR1H2HDAC1GPR119ALOX15
SCHEMBL31281068 0.80 ESR2 (0.59) ESR2NR1H2HDAC1GPR119NPC1
SCHEMBL12608362 0.80 ESR2 (0.59) ESR2NR1H2HDAC1GPR119NPC1
SCHEMBL20954879 0.80 HDAC1 (0.46) ESR2NR1H2HDAC1GPR119USP30
SCHEMBL327558 0.79 ESR2 (0.60) ESR2NR1H2HDAC1GPR119NPC1
SCHEMBL25322292 0.78 ESR2 (0.44) ESR2NR1H2HDAC1GPR119NPC1

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 6 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
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 ESR2 1030/4885NR1H2 686/4885HDAC1 1025/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 ESR2 1030/4885NR1H2 686/4885HDAC1 1025/4885

“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.