SCHEMBL4716581

SCHEMBL4716581

N[C@H]1CC[C@H](C(=O)N2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
CHRNB2 P17787 4/20 0.46
CHRNA3 P32297 4/20 0.46
CHRNA4 P43681 4/20 0.46
CHRNB3 Q05901 3/20 0.46
CHRNA6 Q15825 3/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43
SMYD3 Q9H7B4 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
CNR1 P21554 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA7 P36544 1/20 0.35
HSD11B1 P28845 2/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL4716580 1.00 HPGD (0.48) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2688841 0.84 ALDH1A1 (0.60) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2686073 0.80 HPGD (0.75) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL14391353 0.80 HPGD (0.75) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2431695 0.80 HPGD (0.60) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20898855 0.79 ALDH1A1 (0.45) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL13812200 0.79 HTT (0.53) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20327072 0.79 HTT (0.68) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL8252217 0.79 HTT (0.68) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL8518585 0.79 HPGD (0.79) HPGDCHRNB2CHRNA3CHRNA4CHRNB3

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
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
CN-1280269-C Aliphatic nitrogenous five-membered ring compound TANABE SEIYAKU CO (JP) 2006-10-18 CN 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 HPGD 830/4885CHRNB2 4045/4885CHRNA3 2862/4885
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 HPGD 813/4885CHRNB2 3909/4885CHRNA3 3009/4885

“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.