SCHEMBL4019469

SCHEMBL4019469

O=C(N1CCCCC1c1ccccc1)N1CCCCC1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.62
HSD11B1 P28845 2/20 0.58
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
PRMT5 O14744 4/20 0.52
WDR77 Q9BQA1 4/20 0.52
AGTR2 P50052 1/20 0.52
EPHX2 P34913 2/20 0.51
BACE1 P56817 1/20 0.51
SCD5 Q86SK9 3/20 0.50
SCD O00767 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50

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
SCHEMBL27574946 0.89 RIPK1 (0.62) RIPK1HSD11B1HSP90AA1HSP90AB1PRMT5
SCHEMBL216202 0.89 RIPK1 (0.62) RIPK1HSD11B1HSP90AA1HSP90AB1PRMT5
SCHEMBL27574934 0.89 RIPK1 (0.62) RIPK1HSD11B1HSP90AA1HSP90AB1PRMT5
Water SCHEMBL27700791 0.88 RIPK1 (0.60) RIPK1HSD11B1HSP90AA1HSP90AB1PRMT5
SCHEMBL24365000 0.86 RIPK1 (0.63) RIPK1HSD11B1HSP90AA1HSP90AB1PRMT5
SCHEMBL938757 0.86 RIPK1 (0.59) RIPK1HSD11B1HSP90AA1HSP90AB1PRMT5
SCHEMBL19917196 0.86 HSD11B1 (0.59) RIPK1HSD11B1HSP90AA1HSP90AB1PRMT5
SCHEMBL9336982 0.86 RIPK1 (0.63) RIPK1HSD11B1HSP90AA1HSP90AB1PRMT5
SCHEMBL28112744 0.85 RIPK1 (0.57) RIPK1HSD11B1HSP90AA1HSP90AB1PRMT5
SCHEMBL8596155 0.85 PARP14 (0.62) RIPK1HSD11B1HSP90AA1HSP90AB1SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102686566-A Novel tertiary 8-hydroxyquinoline-7-carboxamide derivatives and uses thereof POLICHEM SA 2012-09-19 CN claimed
CN-102686566-A Novel tertiary 8-hydroxyquinoline-7-carboxamide derivatives and uses thereof POLICHEM SA 2012-09-19 CN disclosed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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 (1 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 RIPK1 4239/4885HSD11B1 1683/4885HSP90AA1 3082/4885

“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.