SCHEMBL4059663

SCHEMBL4059663

NC(=O)C1CCCCC[C@@]1(O)[C@H](C[C@@H](O)[CH]Cc1ccccc1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
LTB4R Q15722 4/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
METAP2 P50579 3/20 0.32
METAP1 P53582 1/20 0.32
EPHX1 P07099 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32

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
SCHEMBL6836075 0.99 CCR1 (0.34) CCR1LTB4RLTB4R2METAP2METAP1
SCHEMBL4065572 0.99 CCR1 (0.34) CCR1LTB4RLTB4R2METAP2METAP1
SCHEMBL4063721 0.96 LTB4R (0.36) CCR1LTB4RLTB4R2SMN1; SMN2
SCHEMBL4070221 0.87 MAOB (0.33) EPHX1
SCHEMBL4062209 0.85 SIRT2 (0.33) EPHX1ALDH1A1
SCHEMBL4069505 0.82 CCR1 (0.36) CCR1LTB4RLTB4R2
SCHEMBL7581422 0.82 CCR1 (0.36) CCR1LTB4RLTB4R2
SCHEMBL4070440 0.81 LTB4R (0.32) CCR1LTB4RLTB4R2EPHX1HPGD
SCHEMBL4066914 0.81 MMP1 (0.33)
SCHEMBL7581837 0.80 SMN1; SMN2 (0.37) CCR1LTB4RLTB4R2ALDH1A1MAPK1

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 21/4885LTB4R 323/4885LTB4R2 283/4885

“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.