SCHEMBL5584787

SCHEMBL5584787

O=C(c1cc2c(O)cccc2o1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 9/20 0.48
HPGD P15428 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HRH4 Q9H3N8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5585019 0.89 MAPT (0.62) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL27937992 0.81 POLB (0.65) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL30406453 0.79 ERN1 (0.60) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL14916795 0.79 ERN1 (0.60) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL18889298 0.78 MAPT (0.78) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL5584823 0.78 RAB9A (0.43) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL22840598 0.75 ERN1 (0.56) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL5584789 0.75 KDM4E (0.36) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL20886734 0.75 KMT2A (0.50) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL31429009 0.74 RAB9A (0.52) RAB9ANPC1POLBMAPTALDH1A1

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 RAB9A 2487/4885NPC1 2906/4885POLB 2060/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A RAB9A 2487/4885NPC1 2906/4885POLB 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.