SCHEMBL13620909

SCHEMBL13620909

O=C(O)COc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.58
CHRM2 P08172 1/20 0.52
CCR5 P51681 1/20 0.52
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HRH1 P35367 4/20 0.38
OPRM1 P35372 3/20 0.38
HTR1A P08908 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
OPRL1 P41146 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL10288255 1.00 CCR1 (0.58) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL10287609 0.94 CCR1 (0.53) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL10287589 0.94 CCR1 (0.57) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL14419984 0.93 CCR1 (0.57) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL14579625 0.92 CCR1 (0.57) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL10288256 0.92 CCR1 (0.57) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL7208049 0.91 CCR1 (0.56) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL7208051 0.91 CCR1 (0.56) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL14419955 0.91 CCR1 (0.55) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL15478358 0.91 CCR1 (0.54) 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.