SCHEMBL5884271

SCHEMBL5884271

CN(CCO)c1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
SLC6A2 P23975 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HSD17B10 Q99714 2/20 0.37
EGFR P00533 3/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HCAR3 P49019 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RX7 Q99572 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL29901355 0.81 HRH3 (0.46) POLBSLC6A2HRH3HCAR3P2RX7
SCHEMBL14344891 0.79 SLC6A2 (0.43) SLC6A2HRH3ALDH1A1P2RX7HSP90AA1
SCHEMBL30775420 0.79 SLC6A2 (0.43) SLC6A2HRH3ALDH1A1P2RX7HSP90AA1
SCHEMBL2104942 0.77 SLC6A2 (0.39) POLBSLC6A2HRH3HSD17B10MAPK1
SCHEMBL31490354 0.76 POLB (0.58) POLBSLC6A2HSD17B10MAPTMAPK1
SCHEMBL440638 0.76 POLB (0.58) POLBSLC6A2HSD17B10MAPTMAPK1
SCHEMBL22931659 0.73 HSP90AA1 (0.42) SLC6A2HRH3EGFRMAPTP2RX7
SCHEMBL1321225 0.73
SCHEMBL30775432 0.73
Alcohol SCHEMBL7553089 0.73 POLB (0.54) POLBSLC6A2HSD17B10MAPTMAPK1

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
US-12264156-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases GALAPAGOS NV (BE) 2025-04-01 US disclosed
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 US disclosed
US-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 US disclosed
WO-2019238424-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2019-12-19 WO disclosed
US-7001910-B1 Thiazolidinedione derivatives as antidiabetic agents VITA-INVEST S.A. (ES) 2006-02-21 US disclosed
EP-1231211-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA INVEST SA (ES) 2003-05-28 EP disclosed
EP-1231211-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA-INVEST, S.A. (ES) 2002-08-14 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-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1A, TNF, IL6 POLB 1280/4885SLC6A2 4161/4885HRH3 1102/4885
US-12264156-B2 Compounds and pharmaceutical compositions thereof for the treatment of diseases TNF, IL1A, COL1A1 POLB 1397/4885SLC6A2 3874/4885HRH3 1284/4885

“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.