SCHEMBL4059264

SCHEMBL4059264

NC(=O)C1CCC(O)(C(CC(O)[CH]Cc2ccccn2)C(=O)NO)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
PTPRA P18433 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.33
CYP3A4 P08684 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
SCHEMBL7590168 0.86 TSHR (0.36) KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2675965 0.86 TSHR (0.36) KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4073406 0.83 VCP (0.35) KMT2ASIRT1ALDH1A1
SCHEMBL4069582 0.80 ALDH1A1 (0.35) L3MBTL1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL4063102 0.79 ANPEP (0.38)
SCHEMBL4069604 0.78 SLC1A3 (0.33)
SCHEMBL4063927 0.78 SLC6A2 (0.36) CYP3A4
SCHEMBL4072970 0.76 SMYD3 (0.39) ALDH1A1
SCHEMBL4065712 0.75 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL7581837 0.75 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2MAPK1POLBALDH1A1

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 L3MBTL1 846/4885MEN1 4545/4885HTT 3357/4885

“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.