SCHEMBL4175324

SCHEMBL4175324

CN(C)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
OPRD1 P41143 3/20 0.48
SLC6A9 P48067 1/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNA1C Q13936 1/20 0.43
MAOB P27338 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
OPRM1 P35372 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42

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
SCHEMBL3295365 0.85 ALDH1A1 (0.43) KMT2AALDH1A1MEN1POLBOPRD1
SCHEMBL493703 0.83 ALDH1A1 (0.46) KMT2AALDH1A1MEN1POLBOPRD1
SCHEMBL20594076 0.83 KMT2A (0.57) KMT2AALDH1A1MEN1OPRD1SLC6A9
SCHEMBL7804645 0.83 KMT2A (0.46) KMT2AALDH1A1MEN1POLBOPRD1
SCHEMBL85386 0.81 ALDH1A1 (0.54) KMT2AALDH1A1MEN1OPRD1SLC6A9
SCHEMBL4563012 0.80 ALDH1A1 (0.43) KMT2AALDH1A1MEN1POLBOPRD1
SCHEMBL7811907 0.80 KDM4E (0.44) KMT2AALDH1A1MEN1POLBOPRD1
SCHEMBL13778877 0.78 ACHE (0.50) KMT2AALDH1A1MEN1POLBOPRD1
SCHEMBL12499368 0.78 ALDH1A1 (0.51) KMT2AALDH1A1MEN1OPRD1SLC6A9
SCHEMBL3296869 0.78 CACNA2D1 (0.51) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C

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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 KMT2A 950/4885ALDH1A1 664/4885MEN1 1676/4885

“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.