SCHEMBL1306300

SCHEMBL1306300

O=C(NCCn1cnc2cc(C(=O)N3C4CCC3CC(O)C4)ccc21)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 8/20 0.42
RAB9A P51151 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CHRM1 P11229 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.37
OXTR P30559 1/20 0.37
SMO Q99835 1/20 0.36
SMYD3 Q9H7B4 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
SCHEMBL1306682 0.92 HPGD (0.44) MAPK1ALDH1A1HPGDRAB9AGAA
SCHEMBL1308069 0.89 HPGD (0.42) MAPK1ALDH1A1HPGDRAB9AGAA
SCHEMBL12034937 0.89 HPGD (0.42) MAPK1ALDH1A1HPGDRAB9AGAA
SCHEMBL1306667 0.89 HPGD (0.42) MAPK1ALDH1A1HPGDGAAMEN1
SCHEMBL1307339 0.89 HPGD (0.47) MAPK1ALDH1A1HPGDRAB9AGAA
SCHEMBL3809850 0.82 HDAC1 (0.50) MAPK1ALDH1A1HPGDRAB9AHDAC1
SCHEMBL12053717 0.81 ALDH1A1 (0.43) MAPK1ALDH1A1HPGDRAB9AHDAC1
SCHEMBL12034894 0.80 ALDH1A1 (0.49) MAPK1ALDH1A1HPGDRAB9AHDAC1
SCHEMBL1308010 0.79 HPGD (0.46) ALDH1A1HPGDRAB9AGAAMEN1
SCHEMBL12117301 0.79 HPGD (0.45) MAPK1ALDH1A1HPGDRAB9AHDAC1

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-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC (US) 2011-12-22 US disclosed
US-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-07 US disclosed
US-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-07 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-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, CYP11B1, HSD11B2 MAPK1 1496/4885ALDH1A1 187/4885HPGD 27/4885
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD3B1, HSD11B2 MAPK1 1770/4885ALDH1A1 206/4885HPGD 28/4885

“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.