SCHEMBL6034019

SCHEMBL6034019

O=C(NCCN1CCOCC1)c1ccc(Br)cc1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.85
CD274 Q9NZQ7 7/20 0.75
ALDH1A1 P00352 1/20 0.75
HTR1A P08908 1/20 0.75
MAOA P21397 1/20 0.75
MAOB P27338 1/20 0.75
KCNH2 Q12809 1/20 0.75
HPGD P15428 1/20 0.71
KMT2A Q03164 1/20 0.67
POLB P06746 1/20 0.66
KDM4E B2RXH2 1/20 0.66
EPHX2 P34913 1/20 0.65
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL6569882 0.90 CD274 (0.77) TSHRCD274ALDH1A1HTR1AMAOA
SCHEMBL4488493 0.87 CD274 (0.77) TSHRCD274ALDH1A1HTR1AMAOA
SCHEMBL2493968 0.87 ALDH1A1 (0.71) TSHRCD274ALDH1A1HTR1AMAOA
SCHEMBL28212521 0.86 CD274 (0.71) TSHRCD274ALDH1A1HTR1AMAOA
SCHEMBL2615239 0.86 CD274 (0.92) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL3543817 0.86 CD274 (0.92) TSHRCD274ALDH1A1HTR1AMAOA
SCHEMBL280240 0.86 MEN1 (0.76) TSHRCD274ALDH1A1HTR1AMAOA
Moclobemide SCHEMBL3408310 0.86 CD274 (1.00) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL2615238 0.86 CD274 (0.92) CD274ALDH1A1HTR1AMAOAMAOB
Moclobemide SCHEMBL49708 0.86 CD274 (1.00) CD274ALDH1A1HTR1AMAOAMAOB

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-20020032197-A1 Methods and compositions for using moclobemide VELA PHARMACEUTICALS, INC. 2002-03-14 US claimed
WO-2000006140-A2 USE OF MOCLOBEMIDE FOR TREATING CERTAIN PHSYCHIATRIC AND MEDICAL DISORDERS VELA PHARMACEUTICALS INC. (US) 2000-02-10 WO claimed
WO-2000006139-A2 USE OF MOCLOBEMIDE AND METABOLITES FOR TREATING AND PREVENTING SUBSTANCE ABUSE VELA PHARMACEUTICALS INC. (US) 2000-02-10 WO claimed
WO-2000006138-A2 USE OF MOCLOBEMIDE FOR TREATING PAIN AND OTHER DISEASES VELA PHARMACEUTICALS INC. (US) 2000-02-10 WO claimed
US-4210754-A ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1980-07-01 US claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO disclosed
US-20020032197-A1 Methods and compositions for using moclobemide VELA PHARMACEUTICALS, INC. 2002-03-14 US disclosed
WO-2000006140-A2 USE OF MOCLOBEMIDE FOR TREATING CERTAIN PHSYCHIATRIC AND MEDICAL DISORDERS VELA PHARMACEUTICALS INC. (US) 2000-02-10 WO disclosed
WO-2000006139-A2 USE OF MOCLOBEMIDE AND METABOLITES FOR TREATING AND PREVENTING SUBSTANCE ABUSE VELA PHARMACEUTICALS INC. (US) 2000-02-10 WO disclosed
US-4210754-A ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1980-07-01 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-20020032197-A1 Methods and compositions for using moclobemide FKBP5, FKBP1B, FKBP3 TSHR 1438/4885CD274 2615/4885ALDH1A1 3001/4885
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL TSHR 898/4885CD274 4437/4885ALDH1A1 2625/4885

“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.