SCHEMBL4063105

SCHEMBL4063105

CC1CCC(O)(C(CC(O)C(N)Cc2cccc(F)c2)C(=O)NO)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
SLC1A1 P43005 2/20 0.39
DPP4 P27487 6/20 0.36
DPP7 Q9UHL4 4/20 0.36
DPP9 Q86TI2 4/20 0.36
DPP8 Q6V1X1 3/20 0.36
REN P00797 1/20 0.35
FAP Q12884 1/20 0.34
FCER2 P06734 2/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ROCK1 Q13464 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL4060934 0.90 BACE1 (0.33) DPP4
SCHEMBL7590174 0.89 MMP1 (0.40) ANPEPRENMMP3LMNA
SCHEMBL2675968 0.89 MMP1 (0.40) ANPEPRENMMP3LMNA
SCHEMBL4064242 0.88 ANPEP (0.36) ANPEPDPP4RENMMP3ALDH1A1
SCHEMBL4072973 0.88 HTT (0.41) DPP4DPP7DPP9DPP8REN
SCHEMBL4073411 0.83 DPP4 (0.38) DPP4DPP7DPP9DPP8FAP
SCHEMBL4069613 0.81 MME (0.35) SLC1A1DPP4DPP9DPP8REN
SCHEMBL4063940 0.80 REN (0.38) RENMMP3MMP9
SCHEMBL4248926 0.79 EPHX1 (0.37) DPP4
SCHEMBL4069597 0.79 CTSC (0.40) ALDH1A1

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 ANPEP 4623/4885SLC1A1 1741/4885DPP4 1477/4885

“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.