SCHEMBL2543712

SCHEMBL2543712

CCOC(=O)C1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 2/20 0.49
CHRM1 P11229 1/20 0.48
HPGD P15428 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.42
NR1H2 P55055 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL9408055 0.90 CHRM1 (0.61) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL6184544 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL6182246 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL337418 0.86 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL25030105 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL6634545 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL8263558 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL3787646 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL8179660 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL12615290 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TSHRMAPT

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
CN-116888108-B Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2024-04-19 CN disclosed
CN-116888108-A Novel EGFR degradation agent 上海齐鲁制药研究中心有限公司 2023-10-13 CN disclosed
US-9771375-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-09-26 US disclosed
EP-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 EP disclosed
US-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-11-13 US disclosed
US-8822447-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-09-02 US disclosed
EP-2560962-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS Janssen Pharmaceutica NV (BE) 2013-02-27 EP disclosed
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-27 US disclosed
WO-2011133750-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-10-27 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-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR ALDH1A1 1451/4885KMT2A 767/4885MEN1 4477/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR ALDH1A1 1451/4885KMT2A 767/4885MEN1 4477/4885

“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.