SCHEMBL4064242

SCHEMBL4064242

CC1CCC(O)(C(CC(O)C(N)Cc2ccc(F)cc2)C(=O)NO)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.36
MMP1 P03956 3/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AVPR1A P37288 4/20 0.33
CPA1 P15085 1/20 0.33
REN P00797 1/20 0.33
OXTR P30559 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 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
SCHEMBL2675968 0.91 MMP1 (0.40) ANPEPMMP1MMP2MMP3REN
SCHEMBL7590174 0.91 MMP1 (0.40) ANPEPMMP1MMP2MMP3REN
SCHEMBL4060934 0.90 BACE1 (0.33) DPP4
SCHEMBL4063900 0.89 CCR1 (0.37) TRPA1KDM4EALDH1A1TDP1CPA1
SCHEMBL4063105 0.88 ANPEP (0.40) ANPEPMMP3ALDH1A1RENDPP4
SCHEMBL4063940 0.87 REN (0.38) MMP1MMP2MMP3REN
SCHEMBL4073411 0.84 DPP4 (0.38) KMT2ADPP4
SCHEMBL4069613 0.84 MME (0.35) MMP1MMP2MMP3RENDPP4
SCHEMBL4072973 0.82 HTT (0.41) RENKMT2ADPP4
SCHEMBL4069597 0.80 CTSC (0.40) MMP1ALDH1A1

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 ANPEP 4623/4885MMP1 3704/4885MMP2 4427/4885

“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.