SCHEMBL993584

SCHEMBL993584

CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.83
CHRM2 P08172 1/20 0.83
CCR5 P51681 1/20 0.83

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
SCHEMBL994696 0.91 CCR1 (0.73) CCR1CHRM2CCR5
SCHEMBL9910989 0.91 CCR1 (0.87) CCR1CHRM2CCR5
SCHEMBL30059121 0.91 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL29709355 0.91 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL995030 0.91 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL993339 0.88 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL5726300 0.88 CCR1 (0.65) CCR1CHRM2CCR5
SCHEMBL993794 0.85 CCR1 (0.90) CCR1CHRM2CCR5
SCHEMBL18776064 0.83 CCR1 (0.87) CCR1CHRM2CCR5
SCHEMBL993754 0.83 CCR1 (0.82) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8147872-B2 Pharmaceutical compositions of drugs and neutralized acidic polymers Bend Reseach, Inc. (US) 2012-04-03 US disclosed
US-7887840-B2 Bioavailability of low- solubility drugs BEND RESEARCH, INC. (US) 2011-02-15 US disclosed
EP-2275091-A1 Pharmaceutical compositions comprising adsorbates of an amorphous drug Pfizer Products Inc. (US) 2011-01-19 EP disclosed
US-20060003011-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers PFIZER INC 2006-01-05 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-20060003011-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers PDE7A, CA6, PDE9A CCR1 1188/4885CHRM2 2122/4885CCR5 975/4885

“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.