SCHEMBL7733509

SCHEMBL7733509

CC1CN(CC/C=C2/C3=CC=CNC3=COc3ccc(C(C)(C)O)cc32)CC(C)C1(O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.42
▸ CHRM2 P08172 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ MDM2 Q00987 3/20 0.31
▸ TP53 P04637 2/20 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
SCHEMBL7733512 1.00 CCR1 (0.42) CCR1CHRM2CCR5MDM2TP53
SCHEMBL441836 0.85 CCR1 (0.60) CCR1CHRM2CCR5MDM2
SCHEMBL441837 0.85 CCR1 (0.60) CCR1CHRM2CCR5MDM2
SCHEMBL5485987 0.83 CCR1 (0.44) CCR1CHRM2CCR5MDM2TP53
SCHEMBL6362657 0.82 CCR1 (0.38) CCR1CHRM2CCR5TP53
SCHEMBL6363771 0.80 CCR1 (0.35) CCR1CHRM2CCR5
SCHEMBL6363775 0.80 CCR1 (0.35) CCR1CHRM2CCR5
SCHEMBL1323820 0.79 CCR1 (0.35) CCR1
SCHEMBL1323821 0.79 CCR1 (0.35) CCR1
SCHEMBL1323469 0.79 CCR1 (0.35) CCR1

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-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 — — 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-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation NFATC1, ELANE, NCF1 CCR1 9/4885CHRM2 2950/4885CCR5 109/4885

“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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