SCHEMBL13620896

SCHEMBL13620896

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)c([N+](=O)[O-])c3)CC1)c1cccnc1CO2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.66
▸ CHRM2 P08172 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ HRH1 P35367 5/20 0.32
▸ OPRM1 P35372 3/20 0.32
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ OPRL1 P41146 2/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 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
SCHEMBL655291 1.00 CCR1 (0.66) CCR1CHRM2CCR5HRH1OPRM1
SCHEMBL655292 1.00 CCR1 (0.66) CCR1CHRM2CCR5HRH1OPRM1
SCHEMBL655101 0.90 CCR1 (0.72) CCR1CHRM2CCR5HRH1OPRM1
SCHEMBL13620884 0.90 CCR1 (0.72) CCR1CHRM2CCR5HRH1OPRM1
SCHEMBL655100 0.90 CCR1 (0.72) CCR1CHRM2CCR5HRH1OPRM1
SCHEMBL14703481 0.89 CCR1 (0.71) CCR1CHRM2CCR5HRH1OPRM1
SCHEMBL10288262 0.88 CCR1 (0.81) CCR1CHRM2CCR5HRH1OPRM1
SCHEMBL10288240 0.88 CCR1 (0.81) CCR1CHRM2CCR5HRH1OPRM1
SCHEMBL13620901 0.87 CCR1 (0.68) CCR1CHRM2CCR5HRH1OPRM1
SCHEMBL13620888 0.85 CCR1 (0.70) 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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