SCHEMBL5584769

SCHEMBL5584769

O=C(c1cc2cccc(OC[C@@H]3CO3)c2o1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.46
DPP4 P27487 1/20 0.43
DPP9 Q86TI2 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHRNA7 P36544 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL10508728 0.83 LMNA (0.46) HRH3MAPTPOLBALDH1A1HTT
SCHEMBL5584569 0.83 LMNA (0.46) HRH3MAPTPOLBALDH1A1HTT
SCHEMBL10910955 0.82 LMNA (0.61) HRH3MAPTPOLBALDH1A1HTT
SCHEMBL9589246 0.82 LMNA (0.61) HRH3MAPTPOLBALDH1A1HTT
SCHEMBL10507571 0.82 ALDH1A1 (0.60) HRH3MAPTPOLBALDH1A1HTT
SCHEMBL5584739 0.82 NPC1 (0.49) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL11748725 0.82 RAB9A (0.62) HRH3MAPTALDH1A1L3MBTL1HTT
SCHEMBL6839227 0.80 LMNA (0.64) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL6837927 0.79 LMNA (0.63) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL10510864 0.79 ALDH1A1 (0.46) HRH3ALDH1A1NPC1RAB9ALMNA

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 HRH3 701/4885MAPT 949/4885POLB 2060/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HRH3 701/4885MAPT 949/4885POLB 2060/4885

“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.