SCHEMBL15670663

SCHEMBL15670663

CC1CCC(=NNC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
HTR2C P28335 1/20 0.42
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CTSL P07711 1/20 0.40
SYK P43405 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL15670661 1.00 ALDH1A1 (0.46) ALDH1A1KMT2APDK1PDK2PDK3
SCHEMBL16075640 0.81 TMEM97 (0.48) KMT2ACTSLNPSR1PDE4B
SCHEMBL17157090 0.81 TMEM97 (0.48) KMT2ACTSLNPSR1PDE4B
SCHEMBL20836102 0.81 ALDH1A1 (0.54) ALDH1A1KMT2ACYP2C19KDM4E
SCHEMBL11981643 0.79 ALDH1A1 (0.49) ALDH1A1KMT2ACYP2C19CTSLSYK
SCHEMBL15653564 0.79 ALDH1A1 (0.54) ALDH1A1KMT2ACYP2C19TSHRCTSL
SCHEMBL19635979 0.78 SYK (0.39) ALDH1A1KMT2AHTR2CTSHRCYP1A2
SCHEMBL376614 0.78 KMT2A (0.51) ALDH1A1KMT2APDK1PDK2PDK3
SCHEMBL1320529 0.78 KMT2A (0.51) ALDH1A1KMT2APDK1PDK2PDK3
SCHEMBL16764952 0.78 KMT2A (0.51) ALDH1A1KMT2APDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2021-01-07 US disclosed
US-10815213-B2 Bruton's tyrosine kinase inhibitors PFIZER INC. (US) 2020-10-27 US disclosed
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2019-07-04 US disclosed
US-10266513-B2 Bruton's tyrosine kinase inhibitors PFIZER INC. (US) 2019-04-23 US disclosed
US-20170283393-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2017-10-05 US disclosed
EP-2914586-B1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER (US) 2017-04-05 EP disclosed
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER (US) 2015-10-15 US disclosed
EP-2914586-A1 BRUTON'S TYROSINE KINASE INHIBITORS Pfizer Inc. (US) 2015-09-09 EP disclosed
WO-2014068527-A1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2014-05-08 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 (6 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-10266513-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN ALDH1A1 4293/4885KMT2A 1448/4885PDK1 1614/4885
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN ALDH1A1 4570/4885KMT2A 1497/4885PDK1 1457/4885
US-10815213-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN ALDH1A1 4142/4885KMT2A 1780/4885PDK1 1118/4885
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN ALDH1A1 4142/4885KMT2A 1780/4885PDK1 1118/4885
US-20170283393-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN ALDH1A1 4293/4885KMT2A 1448/4885PDK1 1614/4885
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, SYK ALDH1A1 4090/4885KMT2A 1643/4885PDK1 1160/4885

“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.