SCHEMBL1322445

SCHEMBL1322445

COC(=O)COc1ccc2c(c1)C(=CCCN1CCC(O)(c3ccc(Cl)cc3)C(C)C1)C1=CC=CNC1=CO2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL1322443 1.00 CCR1 (0.32) CCR1CHRM2CCR5PTGS2ALDH1A1
SCHEMBL1323948 0.82 CCR1 (0.44) CCR1CHRM2CCR5
SCHEMBL1323945 0.82 CCR1 (0.44) CCR1CHRM2CCR5
SCHEMBL654226 0.79 CCR1 (0.54) CCR1CHRM2CCR5PTGS2
SCHEMBL654225 0.79 CCR1 (0.54) CCR1CHRM2CCR5PTGS2
SCHEMBL1323955 0.75 CCR1 (0.45) CCR1CHRM2CCR5
SCHEMBL1323957 0.75 CCR1 (0.45) CCR1CHRM2CCR5
SCHEMBL7733509 0.74 CCR1 (0.42) CCR1CHRM2CCR5
SCHEMBL7733512 0.74 CCR1 (0.42) CCR1CHRM2CCR5
SCHEMBL5485987 0.72 CCR1 (0.44) 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-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 — — US disclosed
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.

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