SCHEMBL3207399

SCHEMBL3207399

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Sc2ccc(C#N)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
KDM4D Q6B0I6 2/20 0.46
AAK1 Q2M2I8 2/20 0.43
IRAK4 Q9NWZ3 6/20 0.42
BTK Q06187 2/20 0.41
JAK3 P52333 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
KCNA3 P22001 1/20 0.41
CTSK P43235 2/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
JAK1 P23458 2/20 0.40
JAK2 O60674 1/20 0.39
TNF P01375 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
SCHEMBL3207411 1.00 DRD2 (0.46) DRD2KDM4DAAK1IRAK4BTK
SCHEMBL1938116 0.83 CCR6 (0.53) DRD2KDM4DIRAK4
SCHEMBL5545283 0.82 DRD2 (0.49) DRD2KDM4DAAK1IRAK4BTK
SCHEMBL23207710 0.80 DPP4 (0.52) DRD2KDM4DAAK1IRAK4BTK
SCHEMBL21522521 0.80 DPP4 (0.52) DRD2KDM4DAAK1IRAK4BTK
SCHEMBL7078845 0.78 RET (0.57) DRD2KDM4DAAK1BTKJAK3
SCHEMBL23166580 0.76 DPP4 (0.47) DRD2KDM4DAAK1IRAK4TNF
SCHEMBL23166581 0.76 DPP4 (0.47) DRD2KDM4DAAK1IRAK4TNF
SCHEMBL851738 0.76 IRAK4 (0.46) DRD2KDM4DAAK1IRAK4BTK
SCHEMBL30546199 0.76 GRM4 (0.52) KDM4DBTKJAK3CTSK

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 DRD2 628/4885KDM4D 2723/4885AAK1 4568/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 DRD2 898/4885KDM4D 2841/4885AAK1 4557/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 DRD2 853/4885KDM4D 2732/4885AAK1 4533/4885

“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.