SCHEMBL5584570

SCHEMBL5584570

CCOC(=O)c1nnc(-c2cc3c(O)cccc3o2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TNKS O95271 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 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
SCHEMBL5584616 0.87 CA1 (0.46) CA1CA2MAPTRAB9ATNKS
SCHEMBL5584685 0.78 F2RL3 (0.42) MAPTRAB9ANPC1ALDH1A1F2RL3
SCHEMBL428470 0.77 F2RL3 (0.41) MAPTALDH1A1F2RL3MAOAKDM4E
SCHEMBL5584741 0.76 F2RL3 (0.46) MAPTRAB9ANPC1ALDH1A1F2RL3
SCHEMBL5585409 0.76 F2RL3 (0.39) MAPTF2RL3TSHRMAOAKDM4E
SCHEMBL25837758 0.73 CA1 (0.58) CA1CA2MAPTRAB9ANPC1
SCHEMBL5584731 0.72 F2RL3 (0.40) MAPTRAB9AF2RL3MAOAMAOB
SCHEMBL114885 0.72 CA1 (0.67) CA1CA2MAPTRAB9ANPC1
SCHEMBL5584722 0.71 F2RL3 (0.46) MAPTRAB9ANPC1ALDH1A1F2RL3
SCHEMBL12285143 0.71 CA1 (0.59) CA1CA2MAPTRAB9ANPC1

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 12 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 claimed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP claimed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US claimed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US claimed
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 CA1 3979/4885CA2 2936/4885MAPT 949/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CA1 3979/4885CA2 2936/4885MAPT 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.