SCHEMBL5584804

SCHEMBL5584804

CC(C)Cc1nnc(-c2cc3c(OC[C@@H]4CO4)cccc3o2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
MKNK1 Q9BUB5 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
F2RL3 Q96RI0 8/20 0.33
PTPN1 P18031 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ANO1 Q5XXA6 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5584628 0.89 ALDH1A1 (0.41) ALDH1A1GLAPDK2PDK4MKNK1
SCHEMBL5585064 0.86 ALDH1A1 (0.39) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5585107 0.85 ALDH1A1 (0.40) ALDH1A1GLAPDK2PDK4MKNK1
SCHEMBL5584445 0.85 ALDH1A1 (0.40) ALDH1A1GLAPDK2PDK4MKNK1
SCHEMBL5584604 0.84 ALDH1A1 (0.40) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584429 0.84 ALDH1A1 (0.46) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584474 0.84 ALDH1A1 (0.46) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584486 0.82 F2RL3 (0.37) PDK2PDK4MKNK1F2RL3ANO1
SCHEMBL5585155 0.82 ALDH1A1 (0.41) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584403 0.81 ALDH1A1 (0.40) ALDH1A1GLAMKNK1TP53CYP3A4

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-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 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 (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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885GLA 3730/4885PDK2 1567/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885GLA 3730/4885PDK2 1567/4885

“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.