SCHEMBL5584944

SCHEMBL5584944

O=C(c1cc2c(OC[C@@H]3CO3)cccc2s1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL5584884 0.92 ALDH1A1 (0.57) RIPK1L3MBTL1ALDH1A1POLBHPGD
SCHEMBL18889234 0.80 RIPK1 (0.66) RIPK1L3MBTL1ALDH1A1POLBHSD17B10
SCHEMBL5584205 0.78 HDAC3 (0.45) L3MBTL1ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL5584823 0.78 RAB9A (0.43) L3MBTL1ALDH1A1POLBHPGDMAPT
SCHEMBL18889263 0.77 RIPK1 (0.70) RIPK1L3MBTL1ALDH1A1POLBHPGD
SCHEMBL18932915 0.77 RIPK1 (0.56) RIPK1L3MBTL1ALDH1A1POLBHPGD
SCHEMBL5584452 0.76 RIPK1 (0.67) RIPK1L3MBTL1ALDH1A1POLBHPGD
SCHEMBL5584759 0.76 HDAC3 (0.46) L3MBTL1ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL18931491 0.76 RIPK1 (0.57) RIPK1L3MBTL1ALDH1A1POLBHPGD
SCHEMBL18889213 0.75 RIPK1 (0.65) RIPK1L3MBTL1ALDH1A1POLBHPGD

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 RIPK1 4476/4885L3MBTL1 4295/4885ALDH1A1 443/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A RIPK1 4476/4885L3MBTL1 4295/4885ALDH1A1 443/4885

“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.