SCHEMBL6360664

SCHEMBL6360664

CC(C)(O)c1ccc2c(c1)C(=CCCN1CCN(c3ccc(Cl)cc3C#N)CC1)C1=CC=CNC1=CO2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.36
▸ DRD2 P14416 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PTGES O14684 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
SCHEMBL6362657 0.82 CCR1 (0.38) CCR1HRH1LMNA
SCHEMBL5485987 0.79 CCR1 (0.44) CCR1DRD3
SCHEMBL7733512 0.78 CCR1 (0.42) CCR1
SCHEMBL7733509 0.78 CCR1 (0.42) CCR1
SCHEMBL441836 0.78 CCR1 (0.60) CCR1
SCHEMBL441837 0.78 CCR1 (0.60) CCR1
SCHEMBL6363775 0.77 CCR1 (0.35) CCR1DRD2DRD4
SCHEMBL6363771 0.77 CCR1 (0.35) CCR1DRD2DRD4
SCHEMBL6363059 0.77 CCR1 (0.39) CCR1
SCHEMBL652974 0.75 CCR1 (0.63) CCR1DRD2DRD4DRD3HRH1

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 4/4885DRD2 3542/4885DRD4 3998/4885

“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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