SCHEMBL6214735

SCHEMBL6214735

CCC(=O)c1ccccc1OCC(O)CN1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.69
DRD2 P14416 4/20 0.57
DRD4 P21917 4/20 0.57
DRD3 P35462 3/20 0.57
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL6212964 0.94 ABCB1 (0.65) ABCB1DRD2DRD4DRD3TSHR
SCHEMBL6211568 0.91 ABCB1 (0.65) ABCB1DRD2DRD4DRD3
SCHEMBL6211742 0.91 ABCB1 (0.62) ABCB1DRD2DRD4DRD3
SCHEMBL6211974 0.90 ABCB1 (0.68) ABCB1DRD2DRD4DRD3TSHR
SCHEMBL6212428 0.89 DRD2 (0.57) ABCB1DRD2DRD4DRD3TSHR
SCHEMBL6210947 0.88 DRD2 (0.56) ABCB1DRD2DRD4DRD3TSHR
SCHEMBL6215380 0.87 HRH1 (0.66) ABCB1DRD2DRD4DRD3
SCHEMBL6210369 0.86 ABCB1 (0.60) ABCB1DRD2DRD4DRD3
SCHEMBL6213685 0.86 ABCB1 (0.57) ABCB1DRD2DRD4DRD3
SCHEMBL6211708 0.85 ABCB1 (0.63) ABCB1DRD2DRD4DRD3TSHR

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 14 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
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
CN-1426394-A Novel compounds ASTRAZENECA AB (SE) 2003-06-25 CN disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263760-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

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 ABCB1 116/4885DRD2 840/4885DRD4 519/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 ABCB1 113/4885DRD2 879/4885DRD4 433/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 ABCB1 132/4885DRD2 729/4885DRD4 426/4885

“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.