SCHEMBL5584770

SCHEMBL5584770

O=C1OCCN1Cc1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.51
KDM4E B2RXH2 3/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
FADS1 O60427 1/20 0.40
TACR1 P25103 2/20 0.40
FAAH O00519 1/20 0.40
GRM2 Q14416 1/20 0.39
BRD4 O60885 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP2D6 P10635 2/20 0.39
NQO2 P16083 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL20695806 0.88 KDM4E (0.44) KDM4EALDH1A1POLBFAAHGRM2
SCHEMBL31518610 0.80 BRD4 (0.51) SIRT1ALDH1A1FAAHBRD4CYP2D6
SCHEMBL3905576 0.79 BRD4 (0.44) FAAHBRD4NQO2MEN1KMT2A
SCHEMBL9826977 0.79 ACHE (0.54) GRM2NQO2TSHRKMT2A
SCHEMBL5619444 0.77 CNR1 (0.42) KDM4EALDH1A1POLBFAAHBRD4
SCHEMBL531434 0.76 GRM2 (0.52) POLBFAAHGRM2CYP2D6MEN1
SCHEMBL31518512 0.76 SIRT1 (0.52) KDM4ESIRT1ALDH1A1POLBNQO2
SCHEMBL31166896 0.75 BCHE (0.37) KDM4EALDH1A1POLBGRM2CYP2D6
SCHEMBL8563554 0.75 BCHE (0.57) KDM4ETACR1CYP2D6MEN1KMT2A
SCHEMBL9826473 0.75 CTSB (0.63) KDM4EALDH1A1TSHRHIF1ASMN1; SMN2

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 8 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
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 MPO 3901/4885KDM4E 610/4885SIRT2 3702/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A MPO 3901/4885KDM4E 610/4885SIRT2 3702/4885

“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.