SCHEMBL6741261

SCHEMBL6741261

CCOC(=O)/C=C/c1c(OC)cc(F)cc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
FDPS P14324 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B1 P14061 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B2 P37059 1/20 0.35
EPAS1 Q99814 1/20 0.35
MGLL Q99685 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ACHE P22303 4/20 0.33
DPP4 P27487 2/20 0.33
ALOX5 P09917 1/20 0.32
BCHE P06276 3/20 0.32
CNKSR1 Q969H4 2/20 0.32
MAOA P21397 1/20 0.32
TTR P02766 1/20 0.32

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
SCHEMBL6797074 1.00 MAOB (0.38) MAOBFDPSCYP1A2CYP3A4CYP2D6
SCHEMBL6795099 0.89 MGLL (0.36) MAOBCYP3A4EPAS1MGLLDPP4
SCHEMBL6742738 0.89 MGLL (0.36) MAOBCYP3A4EPAS1MGLLDPP4
SCHEMBL6741139 0.84 CYP1A2 (0.42) MAOBFDPSCYP1A2CYP3A4CYP2D6
SCHEMBL2477015 0.82 MGLL (0.41) MAOBCYP3A4MGLLDPP4TTR
SCHEMBL10151059 0.82 MGLL (0.41) MAOBCYP3A4MGLLDPP4TTR
SCHEMBL10165848 0.82
SCHEMBL17226927 0.81 MGLL (0.41) MAOBCYP3A4MGLLDPP4TTR
SCHEMBL2478850 0.81 MGLL (0.41) MAOBCYP3A4MGLLDPP4TTR
SCHEMBL6742026 0.81 MGLL (0.41) MAOBCYP3A4MGLLDPP4CNKSR1

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-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 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-20110319359-A1 INDANYL 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 (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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 MAOB 573/4885FDPS 3536/4885CYP1A2 980/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MAOB 3077/4885FDPS 1060/4885CYP1A2 649/4885

“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.