SCHEMBL5585401

SCHEMBL5585401

COc1ccc(C2=CC[N]CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PTGS2 P35354 1/20 0.43
QDPR P09417 2/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX5 P09917 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5585024 0.82 KDM4E (0.42) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL5584331 0.80 NISCH (0.42) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL6641330 0.79 PDE4A (0.50) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5584786 0.78 NISCH (0.48) NPC1
SCHEMBL3540753 0.76 NISCH (0.47) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL5584232 0.75 CYP1B1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL5584724 0.73 CYP19A1 (0.40) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL5585114 0.73 NISCH (0.37) QDPRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3547593 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5584119 0.72 PTGS2 (0.44) PTGS2ALDH1A1L3MBTL1HPGDKDM4E

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 PDE4B 1179/4885PDE4A 921/4885PDE4C 1350/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A PDE4B 1179/4885PDE4A 921/4885PDE4C 1350/4885

“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.