SCHEMBL4064479

SCHEMBL4064479

CC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccc(Cl)c(Cl)c1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.42
PNMT P11086 1/20 0.40
REN P00797 1/20 0.38
CHRM2 P08172 1/20 0.36
CCR5 P51681 1/20 0.36
DPP4 P27487 3/20 0.36
DPP7 Q9UHL4 2/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
MC4R P32245 1/20 0.35
SPPL2A Q8TCT8 1/20 0.35
KIF11 P52732 1/20 0.34
KCNH2 Q12809 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
TACR1 P25103 1/20 0.33
VNN1 O95497 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
SCHEMBL4068828 0.84 CCR1 (0.47) CCR1RENCHRM2CCR5DPP4
SCHEMBL4065303 0.84 CCR1 (0.47) CCR1RENCHRM2CCR5DPP4
SCHEMBL4059066 0.83 CCR1 (0.46) CCR1RENCHRM2CCR5
SCHEMBL6167499 0.83 CCR1 (0.57) CCR1RENCHRM2CCR5
SCHEMBL4062779 0.83 CCR1 (0.51) CCR1RENCHRM2CCR5DPP4
SCHEMBL4071147 0.82 CCR1 (0.43) CCR1RENCHRM2CCR5DPP4
SCHEMBL4067073 0.81 CCR1 (0.45) CCR1RENCHRM2CCR5DPP4
SCHEMBL4064800 0.80 CCR1 (0.44) CCR1RENVNN1
SCHEMBL4068796 0.79 CCR1 (0.44) CCR1RENCHRM2CCR5VNN1
SCHEMBL4067774 0.78 SPPL2A (0.47) CCR1PNMTDPP4DPP7SPPL2A

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 21/4885PNMT 4856/4885REN 1314/4885

“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.