SCHEMBL20031478

SCHEMBL20031478

CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@H]2C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.60
EPHX1 P07099 1/20 0.51
HPGD P15428 1/20 0.50
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.46
PREP P48147 2/20 0.45
GPR119 Q8TDV5 4/20 0.44
RECQL P46063 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
LIPE Q05469 1/20 0.41

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
SCHEMBL29180653 1.00 NR1H2 (0.60) NR1H2EPHX1HPGDUSP2SMN1; SMN2
SCHEMBL12620803 0.98 NR1H2 (0.58) NR1H2EPHX1HPGDUSP2SMN1; SMN2
SCHEMBL14870523 0.96 NR1H2 (0.60) NR1H2EPHX1HPGDUSP2SMN1; SMN2
SCHEMBL21774419 0.96 NR1H2 (0.60) NR1H2EPHX1HPGDUSP2SMN1; SMN2
SCHEMBL500506 0.96 NR1H2 (0.60) NR1H2EPHX1HPGDUSP2SMN1; SMN2
SCHEMBL23963745 0.96 NR1H2 (0.60) NR1H2EPHX1HPGDUSP2SMN1; SMN2
SCHEMBL8256164 0.96 NR1H2 (0.60) NR1H2EPHX1HPGDUSP2SMN1; SMN2
SCHEMBL23906106 0.92 NR1H2 (0.64) NR1H2EPHX1HPGDUSP2SMN1; SMN2
SCHEMBL20554188 0.91 NR1H2 (0.55) NR1H2EPHX1HPGDUSP2SMN1; SMN2
SCHEMBL13698847 0.91 NR1H2 (0.55) NR1H2EPHX1HPGDUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US disclosed
WO-2018059314-A1 AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-04-05 WO disclosed
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-01-04 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US 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-20160332989-A1 Kinase Inhibitor And Use Thereof CDK4, CDK6, CDK3 NR1H2 3595/4885EPHX1 2698/4885HPGD 2131/4885
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF CDK4, CDK6, CDK3 NR1H2 3595/4885EPHX1 2698/4885HPGD 2131/4885

“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.