SCHEMBL5584884

SCHEMBL5584884

O=C(c1cc2c(OC[C@@H]3CO3)cccc2s1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
RIPK1 Q13546 10/20 0.53
F9 P00740 2/20 0.41
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
STAT1 P42224 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
SCHEMBL5584944 0.92 RIPK1 (0.56) ALDH1A1POLBRIPK1KDM4EHSD17B10
SCHEMBL5584205 0.80 HDAC3 (0.45) ALDH1A1F9F10PLAUHDAC3
SCHEMBL5584759 0.77 HDAC3 (0.46) ALDH1A1F9F10PLAUHDAC3
SCHEMBL5584739 0.77 NPC1 (0.49) ALDH1A1POLBL3MBTL1NPC1LMNA
SCHEMBL5584769 0.75 HRH3 (0.52) ALDH1A1POLBHSD17B10L3MBTL1NPC1
SCHEMBL5585055 0.73 ALDH1A1 (0.74) ALDH1A1POLBRIPK1KDM4EL3MBTL1
SCHEMBL11142523 0.72 ALDH1A1 (0.43) ALDH1A1PKMNPC1LMNARAB9A
SCHEMBL18889234 0.72 RIPK1 (0.66) ALDH1A1POLBRIPK1F9F10
SCHEMBL18889281 0.69 RIPK1 (1.00) ALDH1A1POLBRIPK1HSD17B10NPC1
SCHEMBL5584823 0.69 RAB9A (0.43) ALDH1A1POLBL3MBTL1NPC1LMNA

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 ALDH1A1 443/4885POLB 2060/4885RIPK1 4476/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885POLB 2060/4885RIPK1 4476/4885

“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.