Sugi Predict

Sugi Predict / Compounds / SCHEMBL4060779

SCHEMBL4060779

SCHEMBL4060779

CC(C)(F)CCC(CC(O)C(N)Cc1ccccn1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 7/20 0.50
▸ PTPRA P18433 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ REN P00797 2/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ FDPS P14324 1/20 0.33

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
SCHEMBL4064275 0.84 CCR1 (0.58) CCR1HDAC6HDAC1REN
SCHEMBL6832278 0.84 CCR1 (0.58) CCR1HDAC6HDAC1REN
SCHEMBL4067751 0.84 TSHR (0.55) CCR1CYP1A2CYP2D6MAPTTSHR
Hydroxyamine SCHEMBL6688642 0.82 CCR1 (0.57) CCR1HDAC6HDAC1REN
SCHEMBL4071798 0.82 KMT2A (0.50) CCR1CYP1A2CYP2D6MAPTTSHR
SCHEMBL4063230 0.82 CCR1 (0.44) CCR1REN
SCHEMBL4068183 0.81 CCR1 (0.47) CCR1REN
SCHEMBL4061962 0.79 CCR1 (0.49) CCR1CYP2D6REN
SCHEMBL4066476 0.78 CCR1 (0.45) CCR1REN
SCHEMBL4066248 0.78 CCR1 (0.45) CCR1CYP2D6HDAC6HDAC1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 — — EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 — — 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
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 (1 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885PTPRA 1563/4885CYP1A2 1582/4885

“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.