SCHEMBL5987218

SCHEMBL5987218

CCOC(=O)CC1CCC(N)CN1Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL13631024 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL13434264 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL13434259 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL7602474 0.88 HPGD (0.44) SIGMAR1ALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL2820441 0.86 SIGMAR1 (0.47) SIGMAR1KDM4E
SCHEMBL3487365 0.86 SIGMAR1 (0.47) SIGMAR1KDM4E
SCHEMBL2820438 0.86 SIGMAR1 (0.47) SIGMAR1KDM4E
SCHEMBL13434260 0.82 ALDH1A1 (0.41) SIGMAR1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL12361787 0.82 ALDH1A1 (0.41) SIGMAR1ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL13630926 0.82 ALDH1A1 (0.41) SIGMAR1ALDH1A1L3MBTL1KDM4EGAA

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
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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 (3 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 SIGMAR1 354/4885ALDH1A1 288/4885L3MBTL1 3310/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 SIGMAR1 536/4885ALDH1A1 484/4885L3MBTL1 2743/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 SIGMAR1 570/4885ALDH1A1 348/4885L3MBTL1 3531/4885

“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.