SCHEMBL6212264

SCHEMBL6212264

COc1ccccc1OCC(O)CN1CCC(Oc2ccc(F)c(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.49
DRD2 P14416 4/20 0.49
DRD3 P35462 3/20 0.49
SCN1A P35498 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
TSHR P16473 1/20 0.46
CCR1 P32246 1/20 0.46
HRH1 P35367 1/20 0.46
CCR3 P51677 1/20 0.46
LMNA P02545 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1A P08908 2/20 0.43
HTR7 P34969 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL6212018 0.90 DRD4 (0.56) DRD4DRD2DRD3SCN1ASCN5A
SCHEMBL6213426 0.89 DRD4 (0.44) DRD4DRD2DRD3TSHRCCR1
SCHEMBL7514694 0.88 DRD4 (0.44) DRD4DRD2DRD3TSHRCCR1
SCHEMBL6213505 0.87 DRD4 (0.55) DRD4DRD2DRD3SCN1ASCN5A
SCHEMBL6213645 0.87 ABCB1 (0.56) DRD4DRD2TSHRCCR1HRH1
SCHEMBL6213285 0.86 HRH1 (0.60) DRD4DRD2DRD3SCN1ASCN5A
SCHEMBL6213685 0.86 ABCB1 (0.57) DRD4DRD2DRD3CCR1HRH1
SCHEMBL6214602 0.85 ABCB1 (0.45) DRD4DRD2DRD3SCN1ASCN5A
SCHEMBL6212555 0.85 CCR1 (0.57) DRD4DRD2DRD3TSHRCCR1
SCHEMBL6214507 0.84 CCR3 (0.45) DRD4DRD2DRD3TSHRCCR1

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
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-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 DRD4 519/4885DRD2 840/4885DRD3 1134/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 DRD4 433/4885DRD2 879/4885DRD3 1032/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 DRD4 426/4885DRD2 729/4885DRD3 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.