SCHEMBL10134603

SCHEMBL10134603

CCOC(=O)CCc1c(F)cccc1[C@@H](CC)OC[C@H]1CO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NLRP3 Q96P20 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL10134614 0.91 MGLL (0.38) MGLLKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL10134595 0.89 MGLL (0.36) MGLLKDM4ESMN1; SMN2TSHRPOLB
SCHEMBL6744910 0.88 MEN1 (0.37) MGLLKDM4ESMN1; SMN2TSHRPOLB
SCHEMBL10134612 0.87 ALDH1A1 (0.37) MGLLKDM4EPOLBALDH1A1CYP4F2
SCHEMBL6744920 0.86 KDM4E (0.32) MGLLKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL12202110 0.82 CYP4F2 (0.38) KDM4ESMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL6745216 0.81 CYP4F2 (0.36) MGLLALDH1A1CYP4F2CYP4A11GAA
SCHEMBL6744725 0.80 KDM4E (0.37) MGLLKDM4ESMN1; SMN2TSHRPOLB
SCHEMBL10134601 0.80 CYP4F2 (0.37) MGLLALDH1A1CYP4F2CYP4A11GAA
SCHEMBL6742667 0.79 MGLL (0.40) MGLLSMN1; SMN2KMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 MGLL 2051/4885KDM4E 3243/4885SMN1; SMN2 719/4885

“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.