SCHEMBL4714424

SCHEMBL4714424

N[C@H]1CC[C@H](C(=O)N2CCNCC2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.81
CHRNA3 P32297 5/20 0.81
CHRNA4 P43681 5/20 0.81
CHRNB3 Q05901 3/20 0.81
CHRNA6 Q15825 3/20 0.81
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CHRNB4 P30926 2/20 0.44
CHRNA7 P36544 2/20 0.44
KMT2A Q03164 1/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.41
CHKA P35790 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4714426 1.00 CHRNB2 (0.81) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8314 0.90 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Piperazine SCHEMBL28221523 0.88 CHRNB2 (0.95) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL1018088 0.88 CHRNB2 (0.95) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2688841 0.86 ALDH1A1 (0.60) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1706180 0.84 CHRNB2 (0.87) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL700681 0.82 CHRNB2 (0.84) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL700886 0.82 CHRNB2 (0.84) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26126254 0.82 CHRNB2 (0.84) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14391353 0.82 HPGD (0.75) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 CHRNB2 4045/4885CHRNA3 2862/4885CHRNA4 3772/4885
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 CHRNB2 3909/4885CHRNA3 3009/4885CHRNA4 3605/4885

“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.