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Sugi Predict / Compounds / SCHEMBL13620894

SCHEMBL13620894

SCHEMBL13620894

CC(C)(Oc1ccc2c(c1)/C(=C/CCN1CCC(c3ccc(Cl)cc3)CC1)c1cccnc1CO2)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ CCR5 P51681 1/20 0.56
▸ PRCP P42785 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ HRH1 P35367 6/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ PPARG P37231 2/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ DRD2 P14416 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34

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
SCHEMBL14419954 1.00 CCR1 (0.56) CCR1CHRM2CCR5PRCPMCHR1
SCHEMBL13620891 0.94 CCR1 (0.54) CCR1CHRM2CCR5PRCPMCHR1
SCHEMBL18895927 0.92 CCR1 (0.53) CCR1CHRM2CCR5PRCPMCHR1
SCHEMBL14419965 0.92 CCR1 (0.52) CCR1CHRM2CCR5PRCPMCHR1
SCHEMBL13620879 0.89 CCR1 (0.56) CCR1CHRM2CCR5PRCPMCHR1
SCHEMBL7212910 0.88 CCR1 (0.54) CCR1CHRM2CCR5MCHR1DRD2
SCHEMBL7212913 0.88 CCR1 (0.54) CCR1CHRM2CCR5MCHR1DRD2
SCHEMBL14703463 0.88 CCR1 (0.55) CCR1CHRM2CCR5PRCPMCHR1
SCHEMBL10288233 0.88 CCR1 (0.53) CCR1CHRM2CCR5MCHR1HRH1
SCHEMBL10288234 0.87 CCR1 (0.54) CCR1CHRM2CCR5MCHR1HRH1

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.