SCHEMBL5889083

SCHEMBL5889083

CC(C)(C)OC(=O)N1CCN(C2CCCNC2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
DDB1 Q16531 3/20 0.47
CRBN Q96SW2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
EPHX1 P07099 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL17977135 0.93 DDB1 (0.51) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL20231034 0.85 KDM4E (0.46) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL25043851 0.85 KDM4E (0.46) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL26429969 0.85 KDM4E (0.46) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL17978901 0.80 GPR119 (0.50) KDM4EDDB1CRBNMAPTTHRB
SCHEMBL20812034 0.80 CRBN (0.65) KDM4EDDB1CRBNL3MBTL1MAPT
SCHEMBL18703634 0.79 HPGD (0.48) ALDH1A1KDM4EDDB1CRBNL3MBTL1
SCHEMBL31630908 0.79 DDB1 (0.60) KDM4EDDB1CRBNMAPTTHRB
SCHEMBL31068589 0.79 DDB1 (0.43) KDM4EDDB1CRBNL3MBTL1MAPT
SCHEMBL20449509 0.77 DDB1 (0.48) ALDH1A1KDM4EDDB1CRBNL3MBTL1

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-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ALDH1A1 3104/4885KDM4E 2200/4885DDB1 1000/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ALDH1A1 3104/4885KDM4E 2200/4885DDB1 1000/4885

“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.