SCHEMBL5584853

SCHEMBL5584853

Oc1cccc2oc(-c3nnc(C(F)(F)F)o3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
HDAC6 Q9UBN7 6/20 0.38
F2RL3 Q96RI0 2/20 0.37
CYP2C19 P33261 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5584743 0.80 F2RL3 (0.43) ARHDAC6F2RL3CYP2C19CYP1A2
SCHEMBL5584744 0.79 AKR1C3 (0.42) ARHDAC6F2RL3CYP2C19KDM4E
SCHEMBL428470 0.78 F2RL3 (0.41) ARF2RL3CYP2C19KDM4EHSD17B10
SCHEMBL5584275 0.75 ALDH1A1 (0.38) HDAC6F2RL3CYP3A4ALDH1A1TP53
SCHEMBL5584722 0.75 F2RL3 (0.46) ARF2RL3CYP2C19KDM4ECYP1A2
SCHEMBL5585409 0.75 F2RL3 (0.39) ARF2RL3CYP2C19KDM4EHSD17B10
SCHEMBL5584741 0.75 F2RL3 (0.46) F2RL3CYP2C19KDM4EHSD17B10CYP3A4
SCHEMBL5584731 0.73 F2RL3 (0.40) ARF2RL3CYP2C19KDM4EHSD17B10
SCHEMBL30176932 0.72 AR (0.68) ARCYP2C19KDM4EHSD17B10CYP1A2
SCHEMBL28386646 0.72 AR (0.68) ARCYP2C19KDM4EHSD17B10CYP1A2

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 AR 1654/4885HDAC6 1335/4885F2RL3 3870/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A AR 1654/4885HDAC6 1335/4885F2RL3 3870/4885

“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.