SCHEMBL13620901

SCHEMBL13620901

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC1)c1cccnc1CO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.68
▸ OPRM1 P35372 16/20 0.44
▸ OPRL1 P41146 8/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ OPRK1 P41145 9/20 0.42
▸ HTR1A P08908 8/20 0.42
▸ DRD2 P14416 8/20 0.42
▸ DRD4 P21917 8/20 0.42
▸ HTR2A P28223 8/20 0.42
▸ HTR2C P28335 8/20 0.42
▸ HTR7 P34969 8/20 0.42
▸ OPRD1 P41143 8/20 0.42
▸ DRD3 P35462 7/20 0.42
▸ HTR2B P41595 7/20 0.42
▸ HTR1D P28221 7/20 0.42
▸ HRH2 P25021 6/20 0.42
▸ DRD1 P21728 6/20 0.42
▸ DRD5 P21918 6/20 0.42
▸ SLC6A2 P23975 6/20 0.42

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
SCHEMBL655101 0.92 CCR1 (0.72) CCR1OPRM1OPRL1CHRM2CCR5
SCHEMBL13620884 0.92 CCR1 (0.72) CCR1OPRM1OPRL1CHRM2CCR5
SCHEMBL655100 0.92 CCR1 (0.72) CCR1OPRM1OPRL1CHRM2CCR5
SCHEMBL14703481 0.91 CCR1 (0.71) CCR1OPRM1OPRL1CHRM2CCR5
SCHEMBL10288262 0.89 CCR1 (0.81) CCR1OPRM1OPRL1CHRM2CCR5
SCHEMBL10288240 0.89 CCR1 (0.81) CCR1OPRM1OPRL1CHRM2CCR5
SCHEMBL12121887 0.88 CCR1 (0.70) CCR1CHRM2CCR5HTR1ADRD2
SCHEMBL13620896 0.87 CCR1 (0.66) CCR1OPRM1OPRL1CHRM2CCR5
SCHEMBL655292 0.87 CCR1 (0.66) CCR1OPRM1OPRL1CHRM2CCR5
SCHEMBL655291 0.87 CCR1 (0.66) CCR1OPRM1OPRL1CHRM2CCR5

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 3 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-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 1/4885OPRM1 3631/4885OPRL1 1945/4885
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS CCR1, CCR3, CCR4 CCR1 1/4885OPRM1 3656/4885OPRL1 2325/4885

“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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