SCHEMBL4664769

SCHEMBL4664769

CC(C)c1nc2c3c(c(C(=O)N(C)C)cc2n1C)CCC(c1ccccc1)O3

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.36
BRD4 O60885 6/20 0.35
CREBBP Q92793 4/20 0.35
SLC8A1 P32418 2/20 0.31
AADAT Q8N5Z0 1/20 0.31
ATP4A P20648 1/20 0.30
ATP4B P51164 1/20 0.30

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
SCHEMBL4663156 0.88 RIPK1 (0.36) RIPK1BRD4SLC8A1ATP4AATP4B
SCHEMBL4662902 0.88 RIPK1 (0.36) RIPK1BRD4SLC8A1ATP4AATP4B
SCHEMBL4664616 0.88 RIPK1 (0.36) RIPK1BRD4SLC8A1ATP4AATP4B
SCHEMBL4664631 0.86 PARP1 (0.36) RIPK1BRD4SLC8A1ATP4AATP4B
SCHEMBL4664789 0.85 RIPK1 (0.34) RIPK1BRD4CREBBPSLC8A1ATP4A
SCHEMBL4662868 0.85 RIPK1 (0.34) RIPK1BRD4CREBBPSLC8A1ATP4A
SCHEMBL4964561 0.81 HRH3 (0.34) RIPK1BRD4
SCHEMBL2689410 0.80 NPC1 (0.31)
Hydrochloric Acid SCHEMBL5102503 0.80 HRH3 (0.33)
SCHEMBL4961323 0.79 HTR7 (0.31) SLC8A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US claimed
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR RIPK1 4446/4885BRD4 85/4885CREBBP 344/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI RIPK1 4185/4885BRD4 1068/4885CREBBP 691/4885

“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.