SCHEMBL5584739

SCHEMBL5584739

O=C(c1cc2c(OC[C@@H]3CO3)cccc2o1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 10/20 0.48
HPGD P15428 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
GRIN2B Q13224 1/20 0.40
GLA P06280 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
RECQL P46063 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
SCHEMBL5584823 0.91 RAB9A (0.43) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL5584901 0.83 TDP1 (0.45) MAPTALDH1A1HPGDL3MBTL1LMNA
SCHEMBL5584167 0.82 ALDH1A1 (0.47) MAPTPOLBALDH1A1L3MBTL1LMNA
SCHEMBL9588603 0.82 ALDH1A1 (0.47) MAPTPOLBALDH1A1L3MBTL1LMNA
SCHEMBL5584769 0.82 HRH3 (0.52) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL5584261 0.81 ALDH1A1 (0.45) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL7497023 0.80 ALDH1A1 (0.46) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL5584884 0.77 ALDH1A1 (0.57) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL5585019 0.77 MAPT (0.62) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL5432111 0.73 ALDH1A1 (0.56) MAPTALDH1A1HPGDSMN1; SMN2TSHR

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 NPC1 2906/4885RAB9A 2487/4885MAPT 949/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NPC1 2906/4885RAB9A 2487/4885MAPT 949/4885

“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.