SCHEMBL5584244

SCHEMBL5584244

COc1cccc(C2=CC[N]CC2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HSD17B10 Q99714 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
PTGS2 P35354 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35

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
SCHEMBL5584119 0.86 PTGS2 (0.44) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5584724 0.81 CYP19A1 (0.40) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL5585024 0.73 KDM4E (0.42) KDM4EALDH1A1TDP1GAAHPGD
SCHEMBL196440 0.72 MGAM (0.55) KDM4EALDH1A1TDP1MGAMGAA
SCHEMBL10640825 0.72 TGFBR1 (0.50) KDM4EHSD17B10
SCHEMBL5584159 0.71 NUDT1 (0.35) ALDH1A1TLR8
SCHEMBL1366838 0.70 NISCH (0.40) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL3118899 0.70 DRD1 (0.40) KDM4ETP53RAB9A
SCHEMBL5585401 0.69 PDE4B (0.46) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL16674078 0.68 CA1 (0.55) KDM4EALDH1A1TDP1MGAMGAA

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 KDM4E 610/4885ALDH1A1 443/4885TDP1 1791/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KDM4E 610/4885ALDH1A1 443/4885TDP1 1791/4885

“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.