SCHEMBL4713563

SCHEMBL4713563

CN(C)CCOc1ccc2c(c1)CCN2C(=O)C1CCC(N)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NOTUM Q6P988 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4713566 1.00 MAPT (0.48) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL14590673 0.81 NOTUM (0.64) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL27571712 0.75 MAPT (0.48) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL23449225 0.73 NPC1 (0.60) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL6110844 0.73 HRH3 (0.59) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8614407 0.72 ROCK1 (0.54) SMN1; SMN2ALDH1A1KDM4ENOTUM
SCHEMBL4710582 0.72 ALDH1A1 (0.53) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4710583 0.72 ALDH1A1 (0.53) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4714432 0.71 TSHR (0.52) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4714429 0.71 TSHR (0.52) MAPTLMNASMN1; SMN2ALDH1A1KDM4E

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 MAPT 2836/4885LMNA 2458/4885SMN1; 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 MAPT 3375/4885LMNA 2528/4885SMN1; 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.