SCHEMBL5584685

SCHEMBL5584685

CCOc1nnc(-c2cc3c(O)cccc3o2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.42
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
NOTUM Q6P988 1/20 0.37
CES2 O00748 1/20 0.37
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 4/20 0.35
RAB9A P51151 3/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5584741 0.85 F2RL3 (0.46) F2RL3CSNK2A2CSNK2BCSNK2A1NOTUM
SCHEMBL5584731 0.83 F2RL3 (0.40) F2RL3CSNK2A2CSNK2BCSNK2A1NOTUM
SCHEMBL5584883 0.81 F2RL3 (0.50) F2RL3CYP2A6KDM4EHPGDALDH1A1
SCHEMBL5585409 0.80 F2RL3 (0.39) F2RL3CSNK2A2CSNK2BCSNK2A1CES2
SCHEMBL5584767 0.79 ALDH1A1 (0.40) F2RL3NOTUMCYP2A6KDM4EHPGD
SCHEMBL5584570 0.78 CA1 (0.49) F2RL3CES2KDM4EHPGDALDH1A1
SCHEMBL428470 0.78 F2RL3 (0.41) F2RL3CSNK2A2CSNK2BCSNK2A1CES2
SCHEMBL30176937 0.75 QPCT (0.55) CSNK2A2CSNK2BCSNK2A1KDM4EHPGD
SCHEMBL28381218 0.75 QPCT (0.55) CSNK2A2CSNK2BCSNK2A1KDM4EHPGD
SCHEMBL5584722 0.75 F2RL3 (0.46) F2RL3NOTUMCES2KDM4EHPGD

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 6 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
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 F2RL3 3870/4885CSNK2A2 2357/4885CSNK2B 2101/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885CSNK2A2 2357/4885CSNK2B 2101/4885

“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.