SCHEMBL491365

SCHEMBL491365

Cc1cc2nnc(C(=O)N3CCC(c4nc(C=O)cs4)CC3)c(C)n2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
UBE2M P61081 3/20 0.33
DCUN1D1 Q96GG9 3/20 0.33
MAPT P10636 2/20 0.33
BAZ2A Q9UIF9 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SPR P35270 9/20 0.32
LMNA P02545 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 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
SCHEMBL4298330 0.85 SPR (0.45) DPP4KCNH2DPP7UBE2MDCUN1D1
SCHEMBL2186866 0.77 NR2E1 (0.47) MAPTLMNA
SCHEMBL2185602 0.76 KDM4E (0.45) SPR
SCHEMBL2186066 0.74 LMNA (0.45) MAPTHSD17B10LMNA
SCHEMBL15717924 0.73 BAZ2A (0.44) BAZ2AHSD17B10PDE4B
SCHEMBL5225488 0.73 TP53 (0.38) MAPTSPRLMNAPPARG
SCHEMBL1042847 0.72 FAAH (0.38) BAZ2AHSD17B10
SCHEMBL18978996 0.68 BAZ2A (0.36) UBE2MDCUN1D1MAPTBAZ2ALMNA
SCHEMBL15746407 0.68 PLG (0.36) MAPTBAZ2A
SCHEMBL192925 0.68 GPR119 (0.50) MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 US disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 US 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 (7 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB DPP4 3468/4885KCNH2 1573/4885DPP7 2420/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 DPP4 2807/4885KCNH2 3882/4885DPP7 2933/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 DPP4 3265/4885KCNH2 1846/4885DPP7 2774/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB DPP4 4358/4885KCNH2 1021/4885DPP7 4326/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB DPP4 4029/4885KCNH2 1119/4885DPP7 4301/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 DPP4 2795/4885KCNH2 3901/4885DPP7 3088/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB DPP4 4311/4885KCNH2 1071/4885DPP7 4212/4885

“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.