SCHEMBL21884191

SCHEMBL21884191

CCCCCCC(C)(CC)C1CNC(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CXCR4 P61073 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAAA Q02083 5/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL22024174 0.91 CCR2 (0.33) CCR2CCR1CCR5CXCR4ALDH1A1
SCHEMBL22023926 0.87 PDE4A (0.35) ALDH1A1L3MBTL1PDE4APDE4BPDE4C
SCHEMBL22023873 0.87 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL23634129 0.84 CCR2 (0.36) CCR2CCR1CCR5CXCR4ALDH1A1
SCHEMBL22024008 0.84 CCR2 (0.36) CCR2CCR1CCR5CXCR4ALDH1A1
SCHEMBL22023911 0.77 SLC2A1 (0.35) ALDH1A1PDE4A
SCHEMBL21191549 0.74 PDE4A (0.34) CCR2PDE4APDE4BPDE4CPDE4D
SCHEMBL24943449 0.73 ALDH1A1 (0.39) CCR2CCR1CCR5CXCR4ALDH1A1
SCHEMBL24634190 0.73 CYP1A2 (0.40) ALDH1A1NAAA
SCHEMBL19486204 0.71 GNAO1 (0.38) CCR2CCR1CCR5CXCR4

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
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-10889571-B2 Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias Terns, Inc. (US) 2021-01-12 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS Terns, Inc. (US) 2020-03-19 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 (4 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-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR CCR2 3093/4885CCR1 3654/4885CCR5 3287/4885
US-10889571-B2 Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias ABL1, ABL2, BCR CCR2 3064/4885CCR1 4017/4885CCR5 3465/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF CCR2 521/4885CCR1 543/4885CCR5 59/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF CCR2 521/4885CCR1 543/4885CCR5 59/4885

“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.