SCHEMBL6744520

SCHEMBL6744520

CCC[C@@H](OCC1CO1)c1cc(Cl)ccc1CCC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MGLL Q99685 1/20 0.35
P2RX3 P56373 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
FDFT1 P37268 1/20 0.33
FFAR1 O14842 1/20 0.33
CCKBR P32239 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL6745211 0.92 CYP4F2 (0.36) CYP4F2CYP4A11MGLLPOLBALDH1A1
SCHEMBL13265178 0.92 CYP4F2 (0.36) CYP4F2CYP4A11MGLLPOLBALDH1A1
SCHEMBL10151162 0.92 CYP4F2 (0.37) CYP4F2CYP4A11MGLLP2RX3ALDH1A1
SCHEMBL6745521 0.92 CYP4F2 (0.37) CYP4F2CYP4A11MGLLP2RX3ALDH1A1
SCHEMBL6745299 0.87 CYP4F2 (0.38) CYP4F2CYP4A11MGLLP2RX3ALDH1A1
SCHEMBL6799092 0.87 CYP4F2 (0.38) CYP4F2CYP4A11MGLLP2RX3ALDH1A1
SCHEMBL6744908 0.84 CYP4F2 (0.37) CYP4F2CYP4A11MGLLALDH1A1GAA
SCHEMBL6798291 0.83 CYP4F2 (0.39) CYP4F2CYP4A11P2RX3POLBALDH1A1
SCHEMBL2476415 0.81 CYP4F2 (0.38) CYP4F2CYP4A11MGLLALDH1A1GAA
SCHEMBL2476417 0.81 CYP4F2 (0.38) CYP4F2CYP4A11MGLLALDH1A1GAA

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-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
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-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
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 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 (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 CYP4F2 1485/4885CYP4A11 842/4885MGLL 2051/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR CYP4F2 868/4885CYP4A11 403/4885MGLL 2501/4885

“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.