SCHEMBL6167499

SCHEMBL6167499

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.57
CSNK1E P49674 1/20 0.44
REN P00797 1/20 0.41
CHRM2 P08172 1/20 0.41
CCR5 P51681 1/20 0.41
LAP3 P28838 2/20 0.40
APP P05067 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
IL1RN P18510 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40

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
SCHEMBL4068828 0.89 CCR1 (0.47) CCR1RENCHRM2CCR5
SCHEMBL4065303 0.89 CCR1 (0.47) CCR1RENCHRM2CCR5
SCHEMBL2675073 0.89 CCR1 (0.57) CCR1CSNK1ECHRM2CCR5LAP3
SCHEMBL4059066 0.88 CCR1 (0.46) CCR1RENCHRM2CCR5
SCHEMBL6169159 0.88 CCR1 (0.46) CCR1CSNK1ERENLAP3ANPEP
SCHEMBL4062779 0.88 CCR1 (0.51) CCR1RENCHRM2CCR5
SCHEMBL6832278 0.87 CCR1 (0.58) CCR1CSNK1ERENLAP3ANPEP
SCHEMBL6169670 0.87 CCR1 (0.61) CCR1CSNK1ERENLAP3ANPEP
SCHEMBL4064045 0.87 CCR1 (0.61) CCR1CSNK1ERENLAP3ANPEP
SCHEMBL4064275 0.87 CCR1 (0.58) CCR1CSNK1ERENLAP3ANPEP

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 13 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
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 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
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed
WO-2001057023-A1 HETEROCYCLIC AMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-08-09 WO disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 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 (4 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 58/4885CSNK1E 733/4885REN 54/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CCR1 1/4885CSNK1E 1751/4885REN 3519/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885CSNK1E 3498/4885REN 1314/4885
US-20020132810-A1 Novel heterocyclic amide derivatives ARG1, IL4, ARG2 CCR1 32/4885CSNK1E 1897/4885REN 42/4885

“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.