SCHEMBL5584616

SCHEMBL5584616

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
TSHR P16473 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX5 P09917 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
TNKS O95271 1/20 0.42
F2RL3 Q96RI0 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 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
SCHEMBL5584570 0.87 CA1 (0.49) CA1CA2KDM4EALDH1A1TSHR
SCHEMBL5585103 0.79 F2RL3 (0.46) CA1CA2KDM4EALDH1A1TSHR
SCHEMBL5584984 0.78 F2RL3 (0.44) CA1CA2KDM4EALDH1A1TSHR
SCHEMBL4105762 0.78 NMT2 (0.54) CA1CA2KDM4EALDH1A1TSHR
SCHEMBL5584743 0.72 F2RL3 (0.43) CA1CA2ALDH1A1TSHRHPGD
SCHEMBL25837758 0.72 CA1 (0.58) CA1CA2KDM4EALDH1A1TSHR
SCHEMBL114885 0.71 CA1 (0.67) CA1CA2KDM4EALDH1A1TSHR
SCHEMBL5585167 0.70 F2RL3 (0.47) CA1CA2ALDH1A1TSHRHPGD
SCHEMBL12285143 0.70 CA1 (0.59) CA1CA2KDM4EALDH1A1TSHR
SCHEMBL19553518 0.70 CA1 (0.56) CA1CA2KDM4EALDH1A1TSHR

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 2936/4885KDM4E 610/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CA1 3979/4885CA2 2936/4885KDM4E 610/4885

“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.