SCHEMBL4713837

SCHEMBL4713837

COC(=O)C1(C)CCC(C(=O)N2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 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
SCHEMBL4712864 0.78 TSHR (0.54) ALDH1A1L3MBTL1NPSR1RECQLSMN1; SMN2
SCHEMBL2950453 0.76 SMN1; SMN2 (0.63) ALDH1A1RECQLSMN1; SMN2TSHRPOLB
SCHEMBL2950454 0.76 SMN1; SMN2 (0.63) ALDH1A1RECQLSMN1; SMN2TSHRPOLB
SCHEMBL11158442 0.75 TSHR (0.65) ALDH1A1L3MBTL1RECQLSMN1; SMN2TSHR
SCHEMBL12706348 0.73 SMN1; SMN2 (0.59) ALDH1A1RECQLSMN1; SMN2TSHRPOLB
SCHEMBL1254604 0.73 CYP3A4 (0.42) ALDH1A1NPSR1RECQLPKMLMNA
SCHEMBL16840143 0.73 TSHR (0.51) ALDH1A1L3MBTL1NPSR1RECQLSMN1; SMN2
SCHEMBL17624113 0.73 TSHR (0.51) ALDH1A1L3MBTL1NPSR1RECQLSMN1; SMN2
SCHEMBL20000454 0.72 APLNR (0.40) NPSR1TSHRLMNAHTTMEN1
SCHEMBL595271 0.72 APLNR (0.40) NPSR1TSHRLMNAHTTMEN1

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 1113/4885L3MBTL1 4855/4885NPSR1 568/4885
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 715/4885L3MBTL1 4834/4885NPSR1 397/4885

“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.