SCHEMBL3847564

SCHEMBL3847564

CC(C)(C)OC(=O)N1CCCCC[C@@H]1CCO

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
PDE8B O95263 1/20 0.45
HPGD P15428 1/20 0.44
KDM1A O60341 1/20 0.43
EPHX1 P07099 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CHEK2 O96017 1/20 0.41
AKR1C3 P42330 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL3842356 1.00 ATM (0.50) ATMPDE8BHPGDKDM1AEPHX1
SCHEMBL1551631 0.98 ATM (0.51) ATMPDE8BHPGDKDM1AEPHX1
SCHEMBL2354644 0.98 ATM (0.51) ATMPDE8BHPGDKDM1AEPHX1
SCHEMBL2345014 0.98 ATM (0.51) ATMPDE8BHPGDKDM1AEPHX1
SCHEMBL639097 0.94 ATM (0.49) ATMPDE8BHSD17B10CHEK2SMN1; SMN2
SCHEMBL3420227 0.94 ATM (0.49) ATMPDE8BHSD17B10CHEK2SMN1; SMN2
SCHEMBL115698 0.94 ATM (0.49) ATMPDE8BHSD17B10CHEK2SMN1; SMN2
SCHEMBL29551106 0.90 ATM (0.47) ATMPDE8BHPGDKDM1AEPHX1
SCHEMBL3422188 0.90 ATM (0.47) ATMPDE8BHPGDKDM1AEPHX1
SCHEMBL29550329 0.90 ATM (0.47) ATMPDE8BHPGDKDM1AEPHX1

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
EP-1794129-B1 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA NV (BE) 2015-12-30 EP disclosed
EP-1794129-B1 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA NV (BE) 2015-12-30 EP disclosed
EP-1794129-A4 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA NV (BE) 2009-09-02 EP disclosed
US-7402670-B2 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
US-7402670-B2 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
US-7402670-B2 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1794129-A2 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-13 EP disclosed
WO-2006039383-A2 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-13 WO disclosed
US-20060069250-A1 Synthesis by chiral diamine-mediated asymmetric alkylation DENG XIAOHU 2006-03-30 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 (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-20060069250-A1 Synthesis by chiral diamine-mediated asymmetric alkylation SRM, SMOX, DDC ATM 3394/4885PDE8B 4711/4885HPGD 2209/4885

“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.