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SCHEMBL13620897

SCHEMBL13620897

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccccc3Cl)CC1)c1cccnc1CO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.69
▸ CHRM2 P08172 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ HRH1 P35367 5/20 0.35
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ KCNK2 O95069 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ THPO P40225 1/20 0.33

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
SCHEMBL652537 1.00 CCR1 (0.69) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654174 0.93 CCR1 (0.69) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654175 0.93 CCR1 (0.69) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL13620888 0.89 CCR1 (0.70) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654168 0.89 CCR1 (0.70) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654169 0.89 CCR1 (0.70) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL13620881 0.89 CCR1 (0.71) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL655180 0.89 CCR1 (0.71) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL655181 0.89 CCR1 (0.71) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL13620884 0.89 CCR1 (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-14 — — US disclosed
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-14 — — 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
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 (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-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders CCR1, CCR3, CCR4 CCR1 1/4885CHRM2 4457/4885CCR5 12/4885
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS CCR1, CCR3, CCR4 CCR1 1/4885CHRM2 4696/4885CCR5 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.

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