SCHEMBL13292243

SCHEMBL13292243

CCC(C)(C)C(O)(CCNCCC=C1c2cc(C(C)=O)ccc2OCc2ncccc21)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CCR5 P51681 1/20 0.46
▸ TBXA2R P21731 10/20 0.36
▸ TBXAS1 P24557 3/20 0.33

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
SCHEMBL14420175 0.88 CCR1 (0.49) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL13616996 0.78 CCR1 (0.55) CCR1CHRM2CCR5
SCHEMBL653939 0.77 CCR1 (0.59) CCR1CHRM2CCR5TBXA2R
SCHEMBL653940 0.77 CCR1 (0.59) CCR1CHRM2CCR5TBXA2R
SCHEMBL654072 0.75 CCR1 (0.50) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL13804506 0.75 CCR1 (0.50) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL654071 0.75 CCR1 (0.50) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL10287676 0.74 CCR1 (0.54) CCR1CHRM2CCR5TBXA2RTBXAS1
SCHEMBL18896076 0.74 CCR1 (0.53) CCR1CHRM2CCR5TBXA2R
SCHEMBL18633825 0.72 CCR1 (0.52) CCR1CHRM2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732459-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 — — US disclosed
US-20080139602-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-12 — — 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-20080139602-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 CCR1 1/4885CHRM2 1238/4885CCR5 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.

Send feedback