SCHEMBL13620908

SCHEMBL13620908

COCCOc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)C(C)(C(=O)O)C1)c1cccnc1CO2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.64
CHRM2 P08172 1/20 0.52
CCR5 P51681 1/20 0.52
HRH1 P35367 5/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD2 P14416 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
TBXA2R P21731 4/20 0.31

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
SCHEMBL14703482 0.92 CCR1 (0.75) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL655349 0.92 CCR1 (0.75) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL655350 0.92 CCR1 (0.75) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654231 0.88 CCR1 (0.72) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654232 0.88 CCR1 (0.72) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL653153 0.87 CCR1 (0.73) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL653152 0.87 CCR1 (0.73) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL13620877 0.87 CCR1 (0.75) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL656546 0.87 CCR1 (0.75) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL656545 0.87 CCR1 (0.75) CCR1CHRM2CCR5HRH1ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders MILLENNIUM PHARMACEUTICALS INC. (US) 2009-11-19 US disclosed
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders MILLENNIUM PHARMACEUTICALS INC. (US) 2009-11-19 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 (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-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders CCR1, CCR3, CCR4 CCR1 1/4885CHRM2 4457/4885CCR5 12/4885

“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.