Sugi Predict

Sugi Predict / Compounds / SCHEMBL6167468

SCHEMBL6167468

SCHEMBL6167468

CC(C)(F)CCC(CC(O)C(N)Cc1ccccc1)c1nnc(N)o1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.39
▸ CCR1 P32246 7/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ REN P00797 4/20 0.32
▸ LAP3 P28838 3/20 0.31
▸ ANPEP P15144 1/20 0.31
▸ RNPEP Q9H4A4 1/20 0.31
▸ DNPEP Q9ULA0 1/20 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
SCHEMBL6168216 0.81 CSNK1E (0.39) CSNK1ECCR1RENLAP3ANPEP
SCHEMBL6164653 0.81 CSNK1E (0.37) CSNK1ECCR1RENLAP3ANPEP
SCHEMBL6168667 0.78 CSNK1E (0.39) CSNK1ECCR1RENLAP3ANPEP
SCHEMBL6168210 0.76 CSNK1E (0.38) CSNK1ECCR1RENLAP3ANPEP
SCHEMBL6166908 0.76 CSNK1E (0.39) CSNK1ECCR1RENLAP3ANPEP
SCHEMBL6168253 0.76 CSNK1E (0.37) CSNK1ECCR1RENLAP3ANPEP
SCHEMBL6167172 0.74 MAOA (0.46) CSNK1ECCR1
SCHEMBL6167965 0.74 CSNK1E (0.38) CSNK1ECCR1RENLAP3ANPEP
SCHEMBL6167499 0.72 CCR1 (0.57) CSNK1ECCR1RENLAP3ANPEP
SCHEMBL6169159 0.72 CCR1 (0.46) CSNK1ECCR1RENLAP3ANPEP

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 6 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
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
US-20020132810-A1 Novel heterocyclic amide derivatives BROWN MATTHEW F (US) 2002-09-19 — — 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 (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 CSNK1E 733/4885CCR1 58/4885ALDH1A1 1839/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CSNK1E 1751/4885CCR1 1/4885ALDH1A1 438/4885
US-20020132810-A1 Novel heterocyclic amide derivatives ARG1, IL4, ARG2 CSNK1E 1897/4885CCR1 32/4885ALDH1A1 433/4885

“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.