Sugi Predict

Sugi Predict / Compounds / SCHEMBL6166514

SCHEMBL6166514

SCHEMBL6166514

CC(C)(F)CCC(CC(O[Si](C)(C)C(C)(C)C)C(N)Cc1ccccc1)C(=O)NCCO

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CCR1 P32246 7/20 0.42
▸ LAP3 P28838 3/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ RNPEP Q9H4A4 1/20 0.39
▸ DNPEP Q9ULA0 1/20 0.39
▸ REN P00797 3/20 0.35

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
SCHEMBL6165987 0.89 CCR1 (0.41) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4066974 0.76 CCR1 (0.49) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL6166511 0.75 CYP3A4 (0.37) CYP3A4TSHRCCR1
SCHEMBL7591156 0.73 CCR1 (0.61) CYP3A4CCR1LAP3ANPEPRNPEP
SCHEMBL6675017 0.73 CCR1 (0.61) CYP3A4CCR1LAP3ANPEPRNPEP
SCHEMBL4071571 0.73 CCR1 (0.49) CYP3A4CCR1LAP3ANPEPRNPEP
SCHEMBL4071320 0.72 CCR1 (0.48) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4065029 0.72 CCR1 (0.49) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4070208 0.72 CCR1 (0.49) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4060474 0.72 CCR1 (0.47) CCR1LAP3ANPEPRNPEPDNPEP

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 CYP3A4 677/4885TSHR 3391/4885CCR1 58/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CYP3A4 3553/4885TSHR 1258/4885CCR1 1/4885
US-20020132810-A1 Novel heterocyclic amide derivatives ARG1, IL4, ARG2 CYP3A4 382/4885TSHR 1936/4885CCR1 32/4885

“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.