SCHEMBL4068616

SCHEMBL4068616

NC(=O)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C1(C(N)=O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
AKR1C1 Q04828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TOP1 P11387 1/20 0.31
TRPA1 O75762 1/20 0.31
CNR2 P34972 2/20 0.30
SPHK1 Q9NYA1 2/20 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
SCHEMBL6687784 0.99 CCR1 (0.37) CCR1ALDH1A1CYP2D6MMP1MMP2
SCHEMBL2675153 0.99 CCR1 (0.37) CCR1ALDH1A1CYP2D6MMP1MMP2
SCHEMBL4067460 0.99 CCR1 (0.37) CCR1ALDH1A1CYP2D6MMP1MMP2
SCHEMBL2676480 0.89 CCR1 (0.38) CCR1ALDH1A1CYP2D6EPHX1
SCHEMBL4060997 0.80 CCR1 (0.38) CCR1ALDH1A1CYP2D6EPHX1MEN1
SCHEMBL6836075 0.79 CCR1 (0.34) CCR1ALDH1A1EPHX1
SCHEMBL4065572 0.79 CCR1 (0.34) CCR1ALDH1A1EPHX1
SCHEMBL4059663 0.78 CCR1 (0.35) CCR1ALDH1A1EPHX1
SCHEMBL4063721 0.78 LTB4R (0.36) CCR1
SCHEMBL4067877 0.78 CCR1 (0.35) CCR1NPC1RAB9A

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 3 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

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 21/4885ALDH1A1 169/4885CYP2D6 419/4885

“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.