SCHEMBL3540546

SCHEMBL3540546

Nc1ccc(C(=O)NCCN2CCOCC2)cc1Cl

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.69
ALDH1A1 P00352 1/20 0.69
HTR1A P08908 1/20 0.69
MAOA P21397 1/20 0.69
MAOB P27338 1/20 0.69
KCNH2 Q12809 1/20 0.69
POLB P06746 1/20 0.65
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
EPHX2 P34913 1/20 0.60
HPGD P15428 1/20 0.59
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL5247323 0.89 CD274 (0.69) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL3543948 0.89 ALDH1A1 (0.65) ALDH1A1POLBCYP1A2CYP2D6KMT2A
SCHEMBL19175419 0.83 POLB (0.80) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL3543383 0.82 CYP2C9 (0.71) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL3543817 0.82 CD274 (0.92) CD274ALDH1A1HTR1AMAOAMAOB
Moclobemide SCHEMBL3408310 0.82 CD274 (1.00) CD274ALDH1A1HTR1AMAOAMAOB
Moclobemide SCHEMBL49708 0.82 CD274 (1.00) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL3539705 0.81 LMNA (0.69) CD274ALDH1A1HTR1AMAOAMAOB
Moclobemide SCHEMBL11475483 0.81 CD274 (0.97) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL4019430 0.81 TSHR (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (1 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 CD274 4837/4885ALDH1A1 422/4885HTR1A 1963/4885

“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.