SCHEMBL3208739

SCHEMBL3208739

CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cccnc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
MMP2 P08253 2/20 0.49
ANPEP P15144 2/20 0.49
GRM5 P41594 1/20 0.49
NAMPT P43490 1/20 0.49
RAB9A P51151 3/20 0.48
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
TSHR P16473 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
EPHX2 P34913 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45
HPGDS O60760 1/20 0.45

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
SCHEMBL3208745 1.00 ALDH1A1 (0.60) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL18228155 0.88 HTT (0.49) ALDH1A1L3MBTL1HTTSMN1; SMN2NAMPT
SCHEMBL1116630 0.85 ALDH1A1 (0.78) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL24512916 0.84 KDM1A (0.61) L3MBTL1SMN1; SMN2NAMPTRAB9AKDM1A
SCHEMBL24011514 0.84 KDM1A (0.61) L3MBTL1SMN1; SMN2NAMPTRAB9AKDM1A
SCHEMBL6834467 0.84 ACACB (0.51) ALDH1A1L3MBTL1HTTMAPTMMP2
SCHEMBL6637842 0.84 ACACB (0.51) ALDH1A1L3MBTL1HTTMAPTMMP2
SCHEMBL6055005 0.83 ALDH1A1 (0.64) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL31206061 0.82 NAMPT (0.52) ALDH1A1NAMPTRAB9AKDM1AMAOB
SCHEMBL12424958 0.81 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2

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 ALDH1A1 2702/4885L3MBTL1 3844/4885HTT 1354/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 ALDH1A1 2658/4885L3MBTL1 3843/4885HTT 1427/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 ALDH1A1 2491/4885L3MBTL1 3885/4885HTT 1701/4885

“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.