SCHEMBL13617528

SCHEMBL13617528

COC(=O)CN(Cc1ccc(Cl)cc1)C1CCN(CC/C=C2/c3cc(C(C)(C)O)ccc3OCc3ncccc32)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.57
CHRM2 P08172 1/20 0.48
CCR5 P51681 1/20 0.48
HRH1 P35367 6/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MCHR1 Q99705 1/20 0.32
PARP1 P09874 1/20 0.32
NR1D1 P20393 1/20 0.31
TBXA2R P21731 1/20 0.31
LMNA P02545 1/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30

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
SCHEMBL653647 1.00 CCR1 (0.57) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL653646 1.00 CCR1 (0.57) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL655057 0.96 CCR1 (0.58) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL655056 0.96 CCR1 (0.58) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL15478323 0.94 CCR1 (0.56) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL653068 0.94 CCR1 (0.56) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL656075 0.94 CCR1 (0.56) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL14579823 0.93 CCR1 (0.59) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL652856 0.93 CCR1 (0.59) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL10287629 0.93 CCR1 (0.59) 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 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.