SCHEMBL5584731

SCHEMBL5584731

CC(C)Oc1nnc(-c2cc3c(O)cccc3o2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.40
ABCB1 P08183 1/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
CYP3A4 P08684 3/20 0.34
KMT2A Q03164 3/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AKR1C3 P42330 2/20 0.34
PDE4D Q08499 1/20 0.34
AKR1C2 P52895 1/20 0.33

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 0.86 F2RL3 (0.46) F2RL3MAPTMEN1CYP3A4KMT2A
SCHEMBL5584685 0.83 F2RL3 (0.42) F2RL3MAPTMEN1CYP3A4KMT2A
SCHEMBL428470 0.79 F2RL3 (0.41) F2RL3MAPTMEN1CYP3A4KMT2A
SCHEMBL5584348 0.78 F2RL3 (0.47) F2RL3MKNK1
SCHEMBL5584604 0.77 ALDH1A1 (0.40) F2RL3CYP3A4TP53SMN1; SMN2MKNK1
SCHEMBL5585409 0.76 F2RL3 (0.39) F2RL3MAPTMEN1CYP3A4KMT2A
SCHEMBL5584722 0.76 F2RL3 (0.46) F2RL3MAPTKDM4EHPGDCYP2C19
SCHEMBL5584853 0.73 AR (0.39) F2RL3MAPTMEN1CYP3A4KMT2A
SCHEMBL5584570 0.72 CA1 (0.49) F2RL3MAPTMEN1CYP3A4KMT2A
SCHEMBL5584314 0.70 F2RL3 (0.40) F2RL3MAPTMEN1CYP3A4KMT2A

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 5 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

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 3870/4885ABCB1 305/4885MAPT 949/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885ABCB1 305/4885MAPT 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.