SCHEMBL6215380

SCHEMBL6215380

CCC(=O)c1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.66
CCR3 P51677 9/20 0.66
CCR1 P32246 2/20 0.66
ABCB1 P08183 9/20 0.62
KCNH2 Q12809 4/20 0.53
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51

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
SCHEMBL6215021 0.95 HRH1 (0.59) HRH1CCR3CCR1ABCB1KCNH2
SCHEMBL6214269 0.91 HRH1 (0.68) HRH1CCR3CCR1ABCB1KCNH2
SCHEMBL6211568 0.90 ABCB1 (0.65) HRH1CCR3CCR1ABCB1KCNH2
SCHEMBL6074389 0.89 HRH1 (0.68) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6211229 0.89 HRH1 (0.65) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6211742 0.88 ABCB1 (0.62) HRH1CCR3CCR1ABCB1KCNH2
SCHEMBL6214735 0.87 ABCB1 (0.69) ABCB1DRD2DRD4DRD3
SCHEMBL6074823 0.87 HRH1 (0.78) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6211818 0.86 HRH1 (0.61) HRH1CCR3CCR1ABCB1KCNH2
SCHEMBL6211634 0.85 HRH1 (0.67) HRH1CCR3CCR1KCNH2DRD2

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 19 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
CN-1458281-A Coronary virus RNA interference preparation for severe acute respiratory syndrome pathogen HUANQIU ZHONGJIA BIOLOG SCIENC (CN) 2003-11-26 CN 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
CN-1426412-A Novel compounds ASTRAZENECA AB (SE) 2003-06-25 CN 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-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 HRH1 657/4885CCR3 1450/4885CCR1 867/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 HRH1 545/4885CCR3 1515/4885CCR1 747/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 HRH1 673/4885CCR3 1437/4885CCR1 1236/4885

“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.