SCHEMBL6074800

SCHEMBL6074800

CC(CC(=O)O)CC(=O)Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 16/20 0.71
CCR3 P51677 16/20 0.71
CCR1 P32246 2/20 0.71
KCNH2 Q12809 10/20 0.48
DRD2 P14416 4/20 0.47
DRD4 P21917 4/20 0.47
DRD3 P35462 3/20 0.46

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
SCHEMBL6075260 0.93 HRH1 (0.77) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6075050 0.92 HRH1 (0.75) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6074823 0.90 HRH1 (0.78) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6075302 0.89 HRH1 (0.75) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6075311 0.89 HRH1 (0.75) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6074255 0.87 HRH1 (0.80) HRH1CCR3CCR1KCNH2DRD2
Cyclohexane SCHEMBL6598467 0.86 HRH1 (0.81) HRH1CCR3CCR1KCNH2DRD2
Cyclopentane SCHEMBL6598773 0.86 HRH1 (0.81) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6598499 0.86 HRH1 (0.81) HRH1CCR3CCR1KCNH2DRD2
SCHEMBL6598364 0.86 HRH1 (0.73) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239801-A1 Novel compounds ASTRAZENECA AB (SE) 2005-10-27 US claimed
EP-1299356-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-11 EP claimed
US-20030153555-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-14 US claimed
EP-1299356-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP claimed
WO-2001098272-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO claimed
US-7005439-B2 Compounds ASTRAZENECA AB (SE) 2006-02-28 US disclosed
US-20050239801-A1 Novel compounds ASTRAZENECA AB (SE) 2005-10-27 US disclosed
EP-1299356-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-11 EP disclosed
US-20030153555-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-14 US disclosed
EP-1299356-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2001098272-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 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 (2 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-20030153555-A1 Novel compounds RPS4Y1, RPS4X, UGT2B7 HRH1 799/4885CCR3 607/4885CCR1 278/4885
US-20050239801-A1 Novel compounds CHRM2, CHRM1, C1R HRH1 201/4885CCR3 1099/4885CCR1 354/4885

“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.