SCHEMBL18096401

SCHEMBL18096401

CCOC(=O)CC1CCN(C(=O)OC(C)(C)C)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CTSK P43235 1/20 0.33
NR1H2 P55055 1/20 0.32
POLB P06746 1/20 0.32
NOTCH1 P46531 1/20 0.32
EPHX2 P34913 1/20 0.32
HPGD P15428 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL18096402 0.90 POLB (0.31) L3MBTL1DDB1CRBNPOLB
SCHEMBL26978057 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL17328054 0.84 KDM4E (0.38) KDM4EPKMDDB1CRBNCTSK
SCHEMBL26919140 0.83 EPHX2 (0.37) KDM4EPKMDDB1CRBNCTSK
SCHEMBL20794957 0.82 KDM4E (0.36) KDM4EPKMDDB1CRBNCTSK
SCHEMBL24801819 0.81 NR1H2 (0.46) KDM4EPKMDDB1CRBNCTSK
SCHEMBL24801967 0.81 NR1H2 (0.46) KDM4EPKMDDB1CRBNCTSK
SCHEMBL24456248 0.80 CTSK (0.36) KDM4EPKMDDB1CRBNCTSK
SCHEMBL22126840 0.79 NR1H2 (0.38) KDM4EPKMDDB1CRBNCTSK
SCHEMBL22117659 0.79 NR1H2 (0.38) KDM4EPKMDDB1CRBNCTSK

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
WO-2019040106-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
WO-2016154075-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-29 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 MEN1 2152/4885KMT2A 3714/4885ALDH1A1 3037/4885

“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.