SCHEMBL16005309

SCHEMBL16005309

CCN(CC)C(=O)c1cccc(C(=O)Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALDH1A1 P00352 5/20 0.55
HSP90AA1 P07900 5/20 0.54
HSP90AB1 P08238 5/20 0.54
LMNA P02545 4/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.47
BLM P54132 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
PPARG P37231 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7406512 0.91 HPGD (0.79) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL5037684 0.86 HPGD (0.52) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL2566192 0.84 HPGD (0.69) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL29386132 0.84 HPGD (0.69) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL2854780 0.82 HPGD (0.67) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL5432092 0.82 HPGD (0.77) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL11506268 0.81 HPGD (0.77) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1
Diethyltoluamide SCHEMBL29976 0.80 HPGD (1.00) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL1867393 0.80 HPGD (0.69) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1
Diethyltoluamide SCHEMBL29374310 0.80 HPGD (1.00) HPGDTDP1ALDH1A1HSP90AA1HSP90AB1

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
EP-2774926-B1 MORPHINAN DERIVATIVE THE KITASATO INST (JP) 2017-03-15 EP disclosed
US-8952030-B2 Morphinan derivative THE KITASATO INSTITUTE (JP) 2015-02-10 US disclosed
US-20140343015-A1 MORPHINAN DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 2014-11-20 US disclosed
EP-2774926-A1 MORPHINAN DERIVATIVE The Kitasato Institute (JP) 2014-09-10 EP 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-20140343015-A1 MORPHINAN DERIVATIVE ATXN10, OPRM1, OPRL1 HPGD 3755/4885TDP1 4835/4885ALDH1A1 2078/4885

“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.