SCHEMBL2910116

SCHEMBL2910116

CN(C)C(=O)CCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
PAOX Q6QHF9 1/20 0.44
MPI P34949 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL10254267 0.84 GLA (0.53) GLASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL27976380 0.82 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL1473066 0.80 KDM4E (0.55) GLASMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL18389827 0.80 PAOX (0.48) ALDH1A1MAPTLMNAPAOXTSHR
SCHEMBL14871082 0.78 PKM (0.45) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL12251997 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL1286679 0.78 GLA (0.64) GLASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL11289764 0.78 GLA (0.39) GLASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL28005538 0.77 GLA (0.69) GLASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL20641807 0.77 ALDH1A1 (0.38) GLAALDH1A1KMT2AMAPTLMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3954749-A MORPHOLINE DERIVATIVES OF AMIDES UNION CARBIDE CORPORATION (US) 1976-05-04 US claimed
CN-103880575-B Method for preparing beta-amino amide derivatives UNIV TAIZHOU 2015-06-03 CN disclosed
CN-103880575-A Method for preparing beta-amino amide derivatives UNIV TAIZHOU 2014-06-25 CN disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
CN-1774435-A 5-membered heterocyclic derivative DAIICHI SEIYAKU CO (JP) 2006-05-17 CN disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
US-4012445-A Beta-amino carbonyl catalysts for polyurethane preparation UNION CARBIDE CORPORATION (US) 1977-03-15 US disclosed
US-4011223-A POLYMERIZATION CATALYSTS, POLYURETHANES UNION CARBIDE CORPORATION (US) 1977-03-08 US disclosed
US-3954749-A MORPHOLINE DERIVATIVES OF AMIDES UNION CARBIDE CORPORATION (US) 1976-05-04 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 (5 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R GLA 4244/4885SMN1; SMN2 3713/4885ALDH1A1 185/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 GLA 2494/4885SMN1; SMN2 3778/4885ALDH1A1 139/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 GLA 4174/4885SMN1; SMN2 3660/4885ALDH1A1 248/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 GLA 1793/4885SMN1; SMN2 3027/4885ALDH1A1 251/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 GLA 4245/4885SMN1; SMN2 759/4885ALDH1A1 2491/4885

“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.