SCHEMBL5584518

SCHEMBL5584518

CCc1cnc(-c2cc3c(OC[C@@H]4CO4)cccc3o2)o1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
MKNK1 Q9BUB5 3/20 0.39
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
F2RL3 Q96RI0 7/20 0.35
CYP2A6 P11509 2/20 0.33
PTPN1 P18031 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2C P28335 2/20 0.31
VDR P11473 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
SCHEMBL5584409 0.87 ALDH1A1 (0.46) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5585049 0.85 ALDH1A1 (0.41) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584393 0.83 MKNK1 (0.43) MKNK1F2RL3CYP2A6
SCHEMBL5584628 0.83 ALDH1A1 (0.41) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584474 0.80 ALDH1A1 (0.46) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584429 0.80 ALDH1A1 (0.46) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584767 0.80 ALDH1A1 (0.40) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584668 0.79 ALDH1A1 (0.47) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5584777 0.78 ALDH1A1 (0.44) ALDH1A1GLAMKNK1TP53CYP3A4
SCHEMBL5585155 0.78 ALDH1A1 (0.41) 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 8 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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
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 3730/4885MKNK1 2889/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885GLA 3730/4885MKNK1 2889/4885

“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.