SCHEMBL6807717

SCHEMBL6807717

CC(C)(CC[C@H](C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O)OP(=O)(O)O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.82
CHRM2 P08172 1/20 0.82
CCR5 P51681 1/20 0.82

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
SCHEMBL6248473 1.00 CCR1 (0.82) CCR1CHRM2CCR5
SCHEMBL6247018 0.92 CCR1 (0.69) CCR1CHRM2CCR5
SCHEMBL6806550 0.92 CCR1 (0.69) CCR1CHRM2CCR5
SCHEMBL29709355 0.90 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL995030 0.90 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL30059121 0.90 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL6251094 0.90 CCR1 (0.82) CCR1CHRM2CCR5
SCHEMBL993794 0.90 CCR1 (0.90) CCR1CHRM2CCR5
SCHEMBL6249065 0.89 CCR1 (0.81) CCR1CHRM2CCR5
SCHEMBL6803218 0.89 CCR1 (0.81) 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-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents PFIZER INC 2004-05-20 US claimed
US-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents PFIZER INC 2004-05-20 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-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents CCR1, HCAR1, CCR3 CCR1 1/4885CHRM2 143/4885CCR5 12/4885

“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.