SCHEMBL6215764

SCHEMBL6215764

O=C(O)CNC(=O)c1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
DRD4 P21917 5/20 0.49
DRD2 P14416 4/20 0.49
DRD3 P35462 3/20 0.48
SCN1A P35498 2/20 0.48
SCN5A Q14524 2/20 0.48
SCN9A Q15858 2/20 0.48
CCR1 P32246 2/20 0.47
HRH1 P35367 2/20 0.47
CCR3 P51677 2/20 0.47
ABCB1 P08183 6/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL6502923 0.92 CYP2D6 (0.52) CYP2D6DRD4DRD2DRD3SCN1A
SCHEMBL27587187 0.89 HRH1 (0.52) CYP2D6DRD4DRD2DRD3SCN1A
SCHEMBL6210324 0.86 CYP2D6 (0.55) CYP2D6DRD4DRD2DRD3SCN1A
SCHEMBL6214634 0.86 ABCB1 (0.59) DRD4DRD2DRD3CCR1HRH1
SCHEMBL6075131 0.86 DRD4 (0.51) DRD4DRD2DRD3SCN1ASCN5A
SCHEMBL27587199 0.84 CYP2D6 (0.53) CYP2D6DRD4SCN1ASCN5ASCN9A
SCHEMBL6210369 0.84 ABCB1 (0.60) DRD4DRD2DRD3ABCB1KCNH2
SCHEMBL6216008 0.84 ABCB1 (0.47) CYP2D6DRD4DRD2DRD3SCN1A
SCHEMBL27568028 0.84 DRD2 (0.50) CYP2D6DRD4DRD2DRD3SCN1A
SCHEMBL6212528 0.84 CYP2D6 (0.47) CYP2D6DRD4DRD2DRD3SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP claimed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US claimed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO claimed
US-6943188-B2 Hydroxyalkyl compounds ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-20030158225-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 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 (3 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-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X CYP2D6 7/4885DRD4 519/4885DRD2 840/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 CYP2D6 8/4885DRD4 433/4885DRD2 879/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 CYP2D6 7/4885DRD4 426/4885DRD2 729/4885

“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.