SCHEMBL6745167

SCHEMBL6745167

CON(C)C(=O)c1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.48
CFTR P13569 1/20 0.42
CES2 O00748 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
TACR1 P25103 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NOTUM Q6P988 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SOS1 Q07889 1/20 0.36

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
SCHEMBL25406281 0.82 MLYCD (0.41) MLYCDCFTRCES2CYP1A1CYP1B1
SCHEMBL6714250 0.81 GAA (0.56) MLYCDCFTRCES2GAAKDM4E
SCHEMBL4208255 0.81 CFTR (0.50) MLYCDCFTRCES2GAAMEN1
SCHEMBL5636266 0.80 MEN1 (0.41) MLYCDCES2MEN1KMT2AALDH1A1
SCHEMBL30214866 0.79 KDM4E (0.48) MLYCDCFTRCES2CYP1A1CYP1B1
SCHEMBL30482116 0.79 PDK2 (0.49) MLYCDCFTRCES2GAAKDM4E
SCHEMBL954114 0.79 CFTR (0.64) MLYCDCFTRCES2GAAKDM4E
SCHEMBL15561128 0.78 CFTR (0.62) CFTRCES2TAS2R14KDM4EALDH1A1
SCHEMBL2971365 0.78 MEN1 (0.42) MLYCDMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL8579430 0.77 MLYCD (0.46) MLYCDCFTRCES2GAAKDM4E

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
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US 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-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
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 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 (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 MLYCD 3233/4885CFTR 529/4885CES2 880/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MLYCD 3280/4885CFTR 291/4885CES2 2526/4885

“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.