SCHEMBL7602474

SCHEMBL7602474

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
SIGMAR1 Q99720 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM2 P08172 1/20 0.40
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 0.88 SIGMAR1 (0.42) GAASIGMAR1ALDH1A1L3MBTL1LMNA
SCHEMBL13434259 0.88 SIGMAR1 (0.42) GAASIGMAR1ALDH1A1L3MBTL1LMNA
SCHEMBL13434264 0.88 SIGMAR1 (0.42) GAASIGMAR1ALDH1A1L3MBTL1LMNA
SCHEMBL5987218 0.88 SIGMAR1 (0.42) GAASIGMAR1ALDH1A1L3MBTL1LMNA
SCHEMBL13434260 0.83 ALDH1A1 (0.41) GAASIGMAR1ALDH1A1L3MBTL1KDM4E
SCHEMBL12361787 0.83 ALDH1A1 (0.41) GAASIGMAR1ALDH1A1L3MBTL1KDM4E
SCHEMBL13630926 0.83 ALDH1A1 (0.41) GAASIGMAR1ALDH1A1L3MBTL1KDM4E
SCHEMBL13631280 0.83 ALDH1A1 (0.41) GAASIGMAR1ALDH1A1L3MBTL1KDM4E
SCHEMBL13434257 0.80 L3MBTL1 (0.41) SIGMAR1ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL13434256 0.80 L3MBTL1 (0.41) SIGMAR1ALDH1A1L3MBTL1LMNAKMT2A

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-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
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 HPGD 542/4885GAA 3041/4885SIGMAR1 354/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 HPGD 1041/4885GAA 3900/4885SIGMAR1 536/4885

“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.