SCHEMBL6212693

SCHEMBL6212693

COC(=O)CNC(=O)c1ccccc1OCC(O)CN1CCC(Oc2ccc(C#N)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.51
CCR3 P51677 3/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 3/20 0.45
CYP2D6 P10635 2/20 0.45
ACACB O00763 1/20 0.44
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ABCB1 P08183 3/20 0.42

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
SCHEMBL27587187 0.92 HRH1 (0.52) HRH1CCR3MEN1KMT2ADRD2
SCHEMBL6216008 0.90 ABCB1 (0.47) HRH1CCR3DRD2DRD4DRD3
SCHEMBL6502923 0.90 CYP2D6 (0.52) HRH1CCR3DRD2DRD4DRD3
SCHEMBL27587190 0.87 HRH1 (0.48) HRH1CCR3MEN1KMT2ADRD2
SCHEMBL6212247 0.86 HRH1 (0.57) HRH1CCR3
SCHEMBL6211304 0.86 CCR3 (0.44) HRH1CCR3DRD2DRD4DRD3
SCHEMBL6213877 0.85 ABCB1 (0.57) HRH1CCR3MEN1KMT2ADRD2
SCHEMBL6214289 0.85 DRD2 (0.52) HRH1CCR3DRD2DRD4DRD3
SCHEMBL6210347 0.85 DRD2 (0.48) HRH1CCR3MEN1KMT2ADRD2
SCHEMBL6210324 0.85 CYP2D6 (0.55) HRH1CCR3DRD2DRD4DRD3

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 17 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-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
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-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263725-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-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-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 HRH1 657/4885CCR3 1450/4885MEN1 1294/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 HRH1 545/4885CCR3 1515/4885MEN1 1120/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 HRH1 673/4885CCR3 1437/4885MEN1 1455/4885

“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.