SCHEMBL6402888

SCHEMBL6402888

O=C(NCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.66
POLB P06746 2/20 0.61
CCR2 P41597 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
HSD11B1 P28845 1/20 0.52
HTR2A P28223 1/20 0.52
DRD4 P21917 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
DRD2 P14416 1/20 0.49
PMP22 Q01453 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
KCNH2 Q12809 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
SCHEMBL6397149 0.89 MGLL (0.62) MGLLHTR2AMAPTALDH1A1KCNH2
SCHEMBL6397434 0.85 MGLL (0.60) MGLLPOLBCCR2HSD11B1HTR2A
Hydrochloric Acid SCHEMBL6394767 0.84 MGLL (0.61) MGLLPOLBDRD4CYP1A2CYP3A4
SCHEMBL6399880 0.84 MGLL (0.63) MGLLCCR2DRD4CYP1A2CYP3A4
SCHEMBL6396103 0.84 LMNA (0.59) MGLLPOLBL3MBTL1MAPTALDH1A1
SCHEMBL6397433 0.83 ALDH1A1 (0.63) MGLLHTR2ADRD4DRD2ALDH1A1
SCHEMBL6397429 0.82 DRD4 (0.52) MGLLPOLBDRD4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6403181 0.82 DRD4 (0.72) MGLLDRD4CYP1A2CYP3A4CYP2D6
SCHEMBL6395994 0.82 MGLL (0.65) MGLLCCR2HSD11B1
SCHEMBL6397890 0.81 HTR1A (0.70) DRD4CYP1A2CYP2D6DRD2

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 3590/4885POLB 3641/4885CCR2 1488/4885

“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.