SCHEMBL4487940

SCHEMBL4487940

COC(=O)c1nnc(C(=O)N2CCCCC2)cc1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 12/20 0.40
NPC1 O15118 10/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL3136957 0.99 HPGD (0.40) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL4489665 0.86 HPGD (0.41) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL13368971 0.86 GRM5 (0.44) HPGDKMT2ARAB9ANPC1ALDH1A1
SCHEMBL4500319 0.86 HPGD (0.39) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL3128705 0.85 GNE (0.40) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL3138155 0.84 RAB9A (0.38) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL13762558 0.82 RAB9A (0.44) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL3141845 0.82 CDK4 (0.40) ALDH1A1TP53NPSR1
SCHEMBL3141854 0.81 KDM4E (0.36) HPGDALDH1A1SMN1; SMN2TP53NPSR1
SCHEMBL13600522 0.80 TRPV3 (0.37) HPGDMEN1KMT2ARAB9ANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-03 US disclosed
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-03 US disclosed
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-03 US disclosed
US-7579350-B2 5-Isobutyl-6-4-isopropyl-4,5-dihydro-oxazol-2-yl)-pyridazin-3-yl]-piperidin-1-yl-methanone; mimetics of functionalized pyridazine derivatives having low molecular weight; alpha-helical binding ligands of natural receptors such as those of the peptide galanin or the protein Bcl THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 US disclosed
US-7579350-B2 5-Isobutyl-6-4-isopropyl-4,5-dihydro-oxazol-2-yl)-pyridazin-3-yl]-piperidin-1-yl-methanone; mimetics of functionalized pyridazine derivatives having low molecular weight; alpha-helical binding ligands of natural receptors such as those of the peptide galanin or the protein Bcl THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 US disclosed
US-20060205728-A1 Novel scaffolds for beta-helix mimicry THE SCRIPPS RESEARCH INSTITUTE (US) 2006-09-14 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 (2 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-20060205728-A1 Novel scaffolds for beta-helix mimicry HRH1, HEATR1, HSPH1 HPGD 2214/4885MEN1 3582/4885KMT2A 4156/4885
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY HRH1, HEATR1, PLEKHA1 HPGD 2198/4885MEN1 3461/4885KMT2A 3802/4885

“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.