SCHEMBL4070221

SCHEMBL4070221

NC(=O)C1CCCCC1(O)C(CC(O)[CH]Cc1cccc(F)c1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.33
KCNH2 Q12809 3/20 0.33
MAOA P21397 3/20 0.33
SCN3A Q9NY46 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
LMNA P02545 2/20 0.32
TRPA1 O75762 2/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL6836075 0.88 CCR1 (0.34) EPHX1
SCHEMBL4065572 0.88 CCR1 (0.34) EPHX1
SCHEMBL4059663 0.87 CCR1 (0.35) EPHX1
SCHEMBL4063721 0.85 LTB4R (0.36)
SCHEMBL4062209 0.83 SIRT2 (0.33) MAOBKCNH2SCN3APTGER4PTGER3
SCHEMBL4063102 0.76 ANPEP (0.38) MAOBMAOATBXA2RPTGER4PTGER3
SCHEMBL7581422 0.74 CCR1 (0.36)
SCHEMBL4069505 0.74 CCR1 (0.36)
SCHEMBL4066914 0.73 MMP1 (0.33) TRPA1
SCHEMBL4248925 0.72 EPHX1 (0.35) EPHX1

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 MAOB 4137/4885KCNH2 3386/4885MAOA 4017/4885

“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.