SCHEMBL13600522

SCHEMBL13600522

CC(C)Cc1cc(C(=O)N2CCCCC2)nnc1C(=O)N[C@H](CO)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 4/20 0.37
HPGD P15428 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 2/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
USP2 O75604 2/20 0.32
CHRM1 P11229 1/20 0.32
ACACB O00763 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
SCHEMBL13523570 0.99 TRPV3 (0.36) TRPV3HPGDMEN1KMT2ACNR2
SCHEMBL4500319 0.87 HPGD (0.39) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL3138155 0.86 RAB9A (0.38) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL3493488 0.84 CNR1 (0.41) CNR2RAB9ANPC1CNR1CHRM1
SCHEMBL3493482 0.84 CNR1 (0.41) CNR2RAB9ANPC1CNR1CHRM1
SCHEMBL13600526 0.82 CNR2 (0.33) CNR2
SCHEMBL4489665 0.81 HPGD (0.41) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL4487940 0.80 HPGD (0.41) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL3491426 0.80 NPC1 (0.40) HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3128705 0.80 GNE (0.40) 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 4 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-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

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-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY HRH1, HEATR1, PLEKHA1 TRPV3 1926/4885HPGD 2198/4885MEN1 3461/4885

“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.