SCHEMBL5584823

SCHEMBL5584823

O=C(c1cc2c(OC[C@@H]3CO3)cccc2o1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NPC1 O15118 6/20 0.40
PDK1 Q15118 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL5584739 0.91 NPC1 (0.49) RAB9AALDH1A1ABCB1ABCG2NPC1
SCHEMBL5584901 0.82 TDP1 (0.45) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL9588603 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APDK1POLB
SCHEMBL5584167 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APDK1POLB
SCHEMBL5584261 0.79 ALDH1A1 (0.45) RAB9AALDH1A1MEN1KMT2ANPSR1
SCHEMBL5584944 0.78 RIPK1 (0.56) ALDH1A1POLBMAPTLMNAGAA
SCHEMBL5584787 0.78 RAB9A (0.53) RAB9AALDH1A1MEN1KMT2ANPSR1
SCHEMBL5584769 0.74 HRH3 (0.52) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL27648961 0.73 IRAK4 (0.45) PDK1
SCHEMBL5584282 0.72 CYP1A2 (0.51) RAB9AALDH1A1ABCB1NPC1POLB

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 RAB9A 2487/4885ALDH1A1 443/4885MEN1 2975/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A RAB9A 2487/4885ALDH1A1 443/4885MEN1 2975/4885

“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.