SCHEMBL4710583

SCHEMBL4710583

CN(C)CC(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC[C@H](N)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
BRD4 O60885 1/20 0.47
ATAD2 Q6PL18 1/20 0.47
TSHR P16473 3/20 0.47
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 1/20 0.39
TNF P01375 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
HPGD P15428 1/20 0.38
ADRB2 P07550 1/20 0.38
USP30 Q70CQ3 1/20 0.37
OGG1 O15527 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL4710582 1.00 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL4714429 0.81 TSHR (0.52) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL4714432 0.81 TSHR (0.52) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL4713789 0.74 RAB9A (0.67) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL4713792 0.74 RAB9A (0.67) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL4711742 0.73 OGG1 (0.53) MAPTSMN1; SMN2RAB9ALMNABRD4
SCHEMBL4711743 0.73 OGG1 (0.53) MAPTSMN1; SMN2RAB9ALMNABRD4
SCHEMBL4713566 0.72 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL4713563 0.72 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL31378951 0.66 BRD4 (0.48) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 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 (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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 ALDH1A1 1113/4885MAPT 2836/4885SMN1; SMN2 2153/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 ALDH1A1 715/4885MAPT 3375/4885SMN1; SMN2 1607/4885

“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.