SCHEMBL3206546

SCHEMBL3206546

N#Cc1ccc(S[C@H]2CC[C@@H](N)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
KDM1A O60341 7/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MERTK Q12866 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SSTR2 P30874 1/20 0.32
SLC6A4 P31645 1/20 0.32
TRPC3 Q13507 2/20 0.31
TRPC6 Q9Y210 2/20 0.31

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
SCHEMBL3206535 1.00 MAOB (0.41) MAOBMAOAIRAK4KDM1AHRH2
SCHEMBL5549944 0.73 IRAK4 (0.34) IRAK4KDM1AHRH2HRH1HRH3
SCHEMBL5549941 0.73 IRAK4 (0.34) IRAK4KDM1AHRH2HRH1HRH3
SCHEMBL2579025 0.72 MAOA (0.38) MAOBMAOAKDM4EALDH1A1L3MBTL1
SCHEMBL14595419 0.72 MAOA (0.38) MAOBMAOAKDM4EALDH1A1L3MBTL1
SCHEMBL3207399 0.72 DRD2 (0.46) MAOBIRAK4KDM1A
SCHEMBL3207411 0.72 DRD2 (0.46) MAOBIRAK4KDM1A
SCHEMBL8622591 0.70 ALDH1A1 (0.44) MAOBMAOAKDM4EALDH1A1L3MBTL1
SCHEMBL646276 0.70 DPP4 (0.47) IRAK4KDM1AHRH2HRH1HRH3
SCHEMBL648239 0.70 DPP4 (0.47) IRAK4KDM1AHRH2HRH1HRH3

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
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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 (3 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-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 MAOB 1367/4885MAOA 2438/4885IRAK4 3329/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 MAOB 1382/4885MAOA 2371/4885IRAK4 3039/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 MAOB 1250/4885MAOA 2301/4885IRAK4 3156/4885

“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.