SCHEMBL6363059

SCHEMBL6363059

CC(C)(O)c1ccc2c(c1)C(=CCCN1CCC(Nc3ccc(Cl)cc3)(C(N)=O)CC1)C1=CC=CNC1=CO2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.39
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA13 Q8N1Q1 1/20 0.30
▸ CA14 Q9ULX7 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
SCHEMBL5485987 0.85 CCR1 (0.44) CCR1
SCHEMBL6362657 0.83 CCR1 (0.38) CCR1HTR2A
SCHEMBL441836 0.81 CCR1 (0.60) CCR1
SCHEMBL441837 0.81 CCR1 (0.60) CCR1
SCHEMBL6363775 0.80 CCR1 (0.35) CCR1
SCHEMBL6363771 0.80 CCR1 (0.35) CCR1
SCHEMBL7733512 0.78 CCR1 (0.42) CCR1
SCHEMBL7733509 0.78 CCR1 (0.42) CCR1
SCHEMBL6360664 0.77 CCR1 (0.36) CCR1
SCHEMBL652669 0.77 CCR1 (0.67) CCR1IDO1TDO2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 — — 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-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 CCR1 4/4885IDO1 1388/4885TDO2 3820/4885

“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.

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