SCHEMBL6169670

SCHEMBL6169670

CC(C)(F)CCC(CC(O)C(N)Cc1ccccc1)C(=O)NN

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.61
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
REN P00797 4/20 0.43
LAP3 P28838 3/20 0.43
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
CSNK1E P49674 1/20 0.41
ENPEP Q07075 1/20 0.39

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
SCHEMBL4064045 1.00 CCR1 (0.61) CCR1KDM4EMAPTRENLAP3
SCHEMBL4064275 0.91 CCR1 (0.58) CCR1RENLAP3ANPEPRNPEP
SCHEMBL6832278 0.91 CCR1 (0.58) CCR1RENLAP3ANPEPRNPEP
SCHEMBL7591156 0.89 CCR1 (0.61) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4058726 0.89 CCR1 (0.50) CCR1RENLAP3ANPEPRNPEP
SCHEMBL6675017 0.89 CCR1 (0.61) CCR1RENLAP3ANPEPRNPEP
Hydroxyamine SCHEMBL6688642 0.89 CCR1 (0.57) CCR1RENLAP3ANPEPRNPEP
SCHEMBL6167499 0.87 CCR1 (0.57) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4066974 0.85 CCR1 (0.49) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4068003 0.84 CCR1 (0.58) CCR1MAPT

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 58/4885KDM4E 662/4885MAPT 3775/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CCR1 1/4885KDM4E 2987/4885MAPT 4783/4885
US-20020132810-A1 Novel heterocyclic amide derivatives ARG1, IL4, ARG2 CCR1 32/4885KDM4E 1247/4885MAPT 3920/4885

“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.