SCHEMBL5584744

SCHEMBL5584744

Oc1cccc2cc(-c3nnc(C(F)(F)F)o3)oc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.42
MAOA P21397 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
CBR1 P16152 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
PDE4D Q08499 1/20 0.38
LCK P06239 1/20 0.38
AR P10275 1/20 0.36
AKR1C1 Q04828 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5584839 0.81 ALDH1A1 (0.48) HDAC6ADORA3ADORA2AADORA1F2RL3
SCHEMBL5584853 0.79 AR (0.39) AKR1C3HDAC6PDE4DARAKR1C1
SCHEMBL5584613 0.78 MAOA (0.42) AKR1C3MAOACBR1ADORA3ADORA2A
SCHEMBL5584343 0.77 NPC1 (0.52) MAOAADORA3ADORA2AADORA1KDM4E
SCHEMBL5584751 0.74 ADCY8 (0.39) HDAC6ADORA3ADORA2AADORA1F2RL3
SCHEMBL29431748 0.70 HDAC6 (0.52) HDAC6ARKDM4E
SCHEMBL5584224 0.68 PDE4D (0.42) AKR1C3MAOACBR1ADORA3ADORA2A
SCHEMBL30892693 0.66 MAOA (0.66) AKR1C3MAOAADORA3ADORA2AADORA1
SCHEMBL8291485 0.66 CYP1A1 (0.49) MAOAADORA3ADORA2AADORA1PDE4D
SCHEMBL18760057 0.66 HDAC6 (0.47) HDAC6CYP1A2

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 AKR1C3 2896/4885MAOA 75/4885HDAC6 1335/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A AKR1C3 2896/4885MAOA 75/4885HDAC6 1335/4885

“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.