SCHEMBL4714429

SCHEMBL4714429

CN(C)c1ccc2c(c1)N(C(=O)C1CCC(N)CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
BRD4 O60885 1/20 0.52
ATAD2 Q6PL18 1/20 0.52
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTR2C P28335 1/20 0.40
USP30 Q70CQ3 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.39
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39

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
SCHEMBL4714432 1.00 TSHR (0.52) TSHRBRD4ATAD2RAB9AALDH1A1
SCHEMBL4710583 0.81 ALDH1A1 (0.53) TSHRBRD4ATAD2RAB9AALDH1A1
SCHEMBL4710582 0.81 ALDH1A1 (0.53) TSHRBRD4ATAD2RAB9AALDH1A1
SCHEMBL4713792 0.79 RAB9A (0.67) TSHRBRD4ATAD2RAB9AALDH1A1
SCHEMBL4713789 0.79 RAB9A (0.67) TSHRBRD4ATAD2RAB9AALDH1A1
SCHEMBL4711742 0.78 OGG1 (0.53) TSHRBRD4ATAD2RAB9AMAPT
SCHEMBL4711743 0.78 OGG1 (0.53) TSHRBRD4ATAD2RAB9AMAPT
SCHEMBL14067250 0.77 NOTUM (0.63) ALDH1A1SMN1; SMN2KMT2ANOTUMLMNA
SCHEMBL4710586 0.75 GAA (0.36) BRD4ATAD2ALDH1A1KDM4EKMT2A
SCHEMBL4710585 0.75 GAA (0.36) BRD4ATAD2ALDH1A1KDM4EKMT2A

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 7 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
CN-1468217-A Aliphatic nitrogenous five-membered ring compounds ������ҩ��ʽ���� 2004-01-14 CN 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 TSHR 4334/4885BRD4 1200/4885ATAD2 2804/4885
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 TSHR 4202/4885BRD4 1231/4885ATAD2 2624/4885

“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.