SCHEMBL5584728

SCHEMBL5584728

FC(F)(F)c1ccc(C2=CC[N]CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.44
NISCH Q9Y2I1 1/20 0.42
SCN2A Q99250 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
GFER P55789 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
NPY5R Q15761 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL3546967 0.84 HTR2C (0.36) SCN2A
SCHEMBL3120305 0.82 HTR2C (0.56) SCN2ANPY5R
SCHEMBL9360528 0.81 KIF11 (0.42) KIF11NISCHGFER
SCHEMBL2253193 0.80 MAPK14 (0.38)
SCHEMBL2302066 0.77 NISCH (0.46) KIF11NISCHSCN2ANPY5R
SCHEMBL5035353 0.77 ABCC8 (0.36)
SCHEMBL5585114 0.75 NISCH (0.37) NISCH
SCHEMBL240095 0.74 SIGMAR1 (0.42) NISCHSCN2ANPY5R
SCHEMBL3540282 0.72 NISCH (0.38) NISCH
SCHEMBL5584331 0.70 NISCH (0.42) NISCHSCN2A

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 KIF11 1216/4885NISCH 3392/4885SCN2A 258/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KIF11 1216/4885NISCH 3392/4885SCN2A 258/4885

“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.