SCHEMBL5584485

SCHEMBL5584485

Cc1nnc(-c2cc3c(OCc4ccccc4)cccc3[nH]2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.59
SRD5A2 P31213 1/20 0.51
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
ITK Q08881 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 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
SCHEMBL31530782 0.76 SRD5A2 (0.64) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL1013895 0.76 SRD5A2 (0.64) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL2791678 0.72 SRD5A2 (0.53) SRD5A2MAPTGABRPGABRDGABRA1
SCHEMBL5768529 0.71 SRD5A2 (0.61) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL12524872 0.71 SRD5A2 (0.64) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL20655717 0.70 SRD5A2 (0.51) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL9082245 0.70 GABRA1 (0.59) BRD4MAPTMAPK1TDP1L3MBTL1
SCHEMBL20508285 0.70 AURKA (0.49) BRD4MAPTTDP1ITKKDM4E
SCHEMBL9593980 0.70 SRD5A2 (0.60) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL16632761 0.69 SRD5A2 (0.55) SRD5A2MAPTMAPK1TDP1L3MBTL1

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 BRD4 1621/4885SRD5A2 1097/4885MAPT 949/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A BRD4 1621/4885SRD5A2 1097/4885MAPT 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.