SCHEMBL13617509

SCHEMBL13617509

CC(C)(O)COc1ccc2c(c1)C(=CCCN1CCC(N)(c3ccc(Cl)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.62
CHRM2 P08172 1/20 0.48
CCR5 P51681 1/20 0.48
HRH1 P35367 6/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 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
SCHEMBL12121881 1.00 CCR1 (0.62) CCR1CHRM2CCR5HRH1PDE2A
SCHEMBL13620883 0.92 CCR1 (0.65) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL654973 0.88 CCR1 (0.80) CCR1CHRM2CCR5HRH1PDE2A
SCHEMBL654974 0.88 CCR1 (0.80) CCR1CHRM2CCR5HRH1PDE2A
SCHEMBL13620902 0.88 CCR1 (0.80) CCR1CHRM2CCR5HRH1PDE2A
SCHEMBL656429 0.87 CCR1 (0.60) CCR1CHRM2CCR5PDE2APDE10A
SCHEMBL14703479 0.87 CCR1 (0.60) CCR1CHRM2CCR5PDE2APDE10A
SCHEMBL656430 0.87 CCR1 (0.60) CCR1CHRM2CCR5PDE2APDE10A
SCHEMBL16312646 0.84 CCR1 (0.52) CCR1CHRM2CCR5ADRA1ALMNA
SCHEMBL12121834 0.84 CCR1 (0.57) CCR1CHRM2CCR5HRH1ADRA1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 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 (1 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 CCR1 10/4885CHRM2 1772/4885CCR5 6/4885

“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.