SCHEMBL12409147

SCHEMBL12409147

CO[C@H]1CC[C@H](NC(C)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CD38 P28907 5/20 0.39
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
EPHX1 P07099 2/20 0.35

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
SCHEMBL12409405 1.00 EPHX2 (0.51) EPHX2ATMKDM4EALDH1A1CD38
SCHEMBL10082245 1.00 EPHX2 (0.51) EPHX2ATMKDM4EALDH1A1CD38
SCHEMBL20688150 0.88 ATM (0.46) EPHX2ATMKDM4EALDH1A1MTNR1A
SCHEMBL29318657 0.88 ATM (0.46) EPHX2ATMKDM4EALDH1A1MTNR1A
SCHEMBL284319 0.83 ATM (0.56) EPHX2ATMKDM4EALDH1A1MTNR1A
SCHEMBL284318 0.83 ATM (0.56) EPHX2ATMKDM4EALDH1A1MTNR1A
SCHEMBL50350 0.83
SCHEMBL284342 0.83 ATM (0.56) EPHX2ATMKDM4EALDH1A1MTNR1A
SCHEMBL3229891 0.83 EPHX2 (0.51) EPHX2CD38CYP2D6CYP2B6CYP2C19
SCHEMBL3229882 0.83 EPHX2 (0.51) EPHX2CD38CYP2D6CYP2B6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 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 (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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B EPHX2 919/4885ATM 2364/4885KDM4E 397/4885

“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.