SCHEMBL3198479

SCHEMBL3198479

CCOC(=O)N1CCN(C(=O)N2CCC(N)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
RECQL P46063 1/20 0.60
ALDH1A1 P00352 4/20 0.53
NOS2 P35228 2/20 0.53
NOS3 P29474 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
CHRM1 P11229 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.48
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL382565 0.93 GAA (0.68) GAARECQLALDH1A1NOS2NOS3
SCHEMBL4987475 0.86 GAA (0.60) GAAALDH1A1NOS2NOS3L3MBTL1
SCHEMBL655621 0.82 GAA (0.59) GAARECQLALDH1A1NOS2NOS3
SCHEMBL655620 0.82 GAA (0.59) GAARECQLALDH1A1NOS2NOS3
SCHEMBL702046 0.82 GAA (0.59) GAARECQLALDH1A1NOS2NOS3
SCHEMBL14275779 0.81 GAA (0.53) GAAALDH1A1NOS2NOS3L3MBTL1
SCHEMBL29588936 0.80 GAA (0.65) GAARECQLALDH1A1NOS2NOS3
SCHEMBL1684895 0.79
SCHEMBL1136825 0.79 GNAI3 (0.46) ALDH1A1CHRM1
SCHEMBL10985089 0.79 ALDH1A1 (0.72) GAARECQLALDH1A1L3MBTL1THRB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 GAA 4395/4885RECQL 1877/4885ALDH1A1 2702/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 GAA 4346/4885RECQL 1994/4885ALDH1A1 2658/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 GAA 4028/4885RECQL 1877/4885ALDH1A1 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.