SCHEMBL6397149

SCHEMBL6397149

O=C(NCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.62
HTR2A P28223 1/20 0.59
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
KCNH2 Q12809 2/20 0.55
HTR1A P08908 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
PLD2 O14939 1/20 0.48
PLD1 Q13393 1/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL6402888 0.89 MGLL (0.66) MGLLHTR2AALDH1A1MAPTKCNH2
SCHEMBL6397433 0.85 ALDH1A1 (0.63) MGLLHTR2AALDH1A1KMT2AMEN1
SCHEMBL6397163 0.85 MGLL (0.60) MGLLHTR2AALDH1A1KMT2AMEN1
SCHEMBL6395931 0.85 BCHE (0.56) MGLLHTR2AALDH1A1KMT2AMEN1
SCHEMBL6395925 0.85 BCHE (0.56) MGLLHTR2AALDH1A1KMT2AMEN1
SCHEMBL10712423 0.84 ALDH1A1 (0.62) MGLLHTR2AALDH1A1KCNH2HTR1A
SCHEMBL6397835 0.84 ALDH1A1 (0.62) MGLLALDH1A1KMT2AKCNH2HTR1A
SCHEMBL6396103 0.84 LMNA (0.59) MGLLALDH1A1KMT2AMEN1GAA
SCHEMBL6403495 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL6396965 0.81 MGLL (0.55) MGLLHTR2AKMT2AMEN1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US claimed
JP-2002540204-A 2002-11-26 JP claimed
CN-1344266-A Novel compounds ASTRAZENECA AB (SE) 2002-04-10 CN claimed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP claimed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 WO claimed
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 US disclosed
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US disclosed
US-6518286-B1 Piperidinyl compounds for modulation of immune and inflammatory responses in various diseases and disorders, including asthma ASTRAZENECA AB (SE) 2003-02-11 US disclosed
CN-1344266-A Novel compounds ASTRAZENECA AB (SE) 2002-04-10 CN disclosed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP disclosed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 WO 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-20030134840-A1 Novel compounds RPS4X, RPS4Y1, CYP4B1 MGLL 3590/4885HTR2A 1897/4885ALDH1A1 1521/4885

“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.