SCHEMBL6166479

SCHEMBL6166479

COC(CNC(=O)C(CCC(C)(C)O)CC(O)C(N)Cc1cccc(F)c1)OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.49
CHRM2 P08172 1/20 0.49
CCR5 P51681 1/20 0.49
REN P00797 4/20 0.42
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
SLC1A1 P43005 2/20 0.35
VNN1 O95497 1/20 0.35
HPGD P15428 1/20 0.35
ROCK1 Q13464 1/20 0.34

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
SCHEMBL2676428 0.83 CCR1 (0.60) CCR1CHRM2CCR5RENSLC1A1
SCHEMBL3825745 0.83 CCR1 (0.60) CCR1CHRM2CCR5RENSLC1A1
SCHEMBL4070042 0.78 CCR1 (0.48) CCR1CHRM2CCR5RENCTSS
SCHEMBL6166473 0.77 CCR1 (0.37) CCR1CHRM2CCR5RENCTSS
SCHEMBL6168937 0.76 CCR1 (0.45) CCR1CHRM2CCR5RENCTSS
SCHEMBL4066887 0.76 CCR1 (0.52) CCR1CHRM2CCR5REN
SCHEMBL4062769 0.76 CCR1 (0.40) CCR1CHRM2CCR5REN
SCHEMBL4062779 0.75 CCR1 (0.51) CCR1CHRM2CCR5RENSLC1A1
SCHEMBL4066014 0.74 REN (0.44) CCR1CHRM2CCR5REN
SCHEMBL2675795 0.73 CCR1 (0.50) CCR1CHRM2CCR5REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498417-A1 Heterocyclic amide derivatives Pfizer Products Inc. (US) 2005-01-19 EP disclosed
WO-2004039375-A1 METHODS OF USING CCR1 ANTAGONISTS AS IMMUNOMODULATORY AGENTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents PFIZER INC 2004-05-06 US disclosed
US-6689886-B2 TREATMENT OF INFLAMMATION AND OTHER IMMUNE DISORDERS PFIZER INC. 2004-02-10 US disclosed
US-20030204086-A1 Novel heterocyclic amide derivatives BROWN MATTHEW F (US) 2003-10-30 US disclosed
US-6548671-B2 Treating autoimmune diseases, inflammatory conditions, allergies, infections, viral diseases, bronchitis, transplant tissue rejection, atherosclerosis, restenosis, HIV infectivity, and granulomatous PFIZER INC 2003-04-15 US disclosed
EP-1252154-A1 HETEROCYCLIC AMIDE DERIVATIVES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
US-20020132810-A1 Novel heterocyclic amide derivatives BROWN MATTHEW F (US) 2002-09-19 US disclosed
WO-2001057023-A1 HETEROCYCLIC AMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-08-09 WO 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 (3 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-20030204086-A1 Novel heterocyclic amide derivatives HAX1, ARG1, CXCR2 CCR1 58/4885CHRM2 2487/4885CCR5 375/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CCR1 1/4885CHRM2 492/4885CCR5 10/4885
US-20020132810-A1 Novel heterocyclic amide derivatives ARG1, IL4, ARG2 CCR1 32/4885CHRM2 3307/4885CCR5 160/4885

“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.