SCHEMBL2461573

SCHEMBL2461573

N#CCC1CCCN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CTSK P43235 3/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
LMNA P02545 1/20 0.33
CTSL P07711 1/20 0.33
CTSH P09668 1/20 0.33
GRM3 Q14832 3/20 0.33
AKR1C3 P42330 1/20 0.33
HSD11B1 P28845 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM2 P08172 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
SCHEMBL13738872 0.89 TACR3 (0.36) ALDH1A1MEN1MAPTKMT2ACTSK
SCHEMBL13738996 0.89 TACR3 (0.36) ALDH1A1MEN1MAPTKMT2ACTSK
SCHEMBL15608004 0.89 TACR3 (0.36) ALDH1A1MEN1MAPTKMT2ACTSK
SCHEMBL1773011 0.86 CTSK (0.34) ALDH1A1MEN1MAPTKMT2ACTSK
SCHEMBL14276902 0.85 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2ACTSK
SCHEMBL14697421 0.81
SCHEMBL1183595 0.78 EPHX2 (0.48) ALDH1A1MEN1MAPTKMT2AGRM3
SCHEMBL1777738 0.78 EPHX2 (0.48) ALDH1A1MEN1MAPTKMT2AGRM3
SCHEMBL1773292 0.78 JAK2 (0.33) MEN1KMT2AITGB3ITGA2BCTSK
SCHEMBL3329964 0.78 EPHX2 (0.48) ALDH1A1MEN1MAPTKMT2AGRM3

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-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
EP-2545046-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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 (1 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-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B ALDH1A1 1350/4885MEN1 2341/4885MAPT 2886/4885

“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.