SCHEMBL6212428

SCHEMBL6212428

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
DRD4 P21917 4/20 0.57
DRD3 P35462 3/20 0.57
ABCB1 P08183 11/20 0.56
TSHR P16473 1/20 0.53
CCR1 P32246 1/20 0.51
HRH1 P35367 1/20 0.51
CCR3 P51677 1/20 0.51
SCN1A P35498 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51
CYP2D6 P10635 1/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50

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
SCHEMBL6211974 0.90 ABCB1 (0.68) DRD2DRD4DRD3ABCB1TSHR
SCHEMBL6214735 0.89 ABCB1 (0.69) DRD2DRD4DRD3ABCB1TSHR
SCHEMBL6210947 0.88 DRD2 (0.56) DRD2DRD4DRD3ABCB1TSHR
SCHEMBL6214289 0.87 DRD2 (0.52) DRD2DRD4DRD3ABCB1TSHR
SCHEMBL6212210 0.86 DRD4 (0.64) DRD2DRD4DRD3TSHRSCN1A
SCHEMBL6211708 0.85 ABCB1 (0.63) DRD2DRD4DRD3ABCB1TSHR
SCHEMBL6212726 0.84 CCR1 (0.61) DRD2DRD4DRD3ABCB1TSHR
SCHEMBL6215243 0.83 DRD2 (0.53) DRD2DRD4DRD3ABCB1TSHR
SCHEMBL6212964 0.83 ABCB1 (0.65) DRD2DRD4DRD3ABCB1TSHR
SCHEMBL6216008 0.82 ABCB1 (0.47) DRD2DRD4DRD3ABCB1TSHR

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 18 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
EP-1263725-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-20 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 DRD2 840/4885DRD4 519/4885DRD3 1134/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 DRD2 879/4885DRD4 433/4885DRD3 1032/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 DRD2 729/4885DRD4 426/4885DRD3 1074/4885

“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.