SCHEMBL4060331

SCHEMBL4060331

NC(=O)C1CC[C@@](O)([C@H](C[C@@H](O)[CH]Cc2ccccc2)C(N)=O)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.35
LTB4R Q15722 7/20 0.34
LTB4R2 Q9NPC1 5/20 0.34
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TOP1 P11387 1/20 0.30
LTA4H P09960 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL7581837 0.95 SMN1; SMN2 (0.37) CCR1LTB4RLTB4R2CYP2C19SMN1; SMN2
SCHEMBL4065712 0.95 SMN1; SMN2 (0.37) CCR1LTB4RLTB4R2CYP2C19SMN1; SMN2
SCHEMBL4063896 0.86 KMT2A (0.36) CCR1SMN1; SMN2KMT2A
SCHEMBL7590168 0.85 TSHR (0.36) LTB4RCYP2C19SMN1; SMN2TSHRGAA
SCHEMBL2675965 0.85 TSHR (0.36) LTB4RCYP2C19SMN1; SMN2TSHRGAA
SCHEMBL4067877 0.84 CCR1 (0.35) CCR1LTB4RLTB4R2LTA4H
SCHEMBL4064703 0.84 VNN1 (0.41) CCR1ALDH1A1
SCHEMBL4061953 0.84 CCR1 (0.32) CCR1KMT2A
SCHEMBL4063930 0.83 CCR1 (0.34) CCR1LTB4RGAA
SCHEMBL4071836 0.83 CCR1 (0.35) CCR1LTB4RLTB4R2

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.