SCHEMBL6213645

SCHEMBL6213645

CC(=O)c1ccccc1OCC(O)CN1CCC(Oc2ccc(F)c(F)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.56
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
CCR1 P32246 1/20 0.47
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
POLB P06746 1/20 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
SCHEMBL6213685 0.91 ABCB1 (0.57) ABCB1CCR1HRH1CCR3DRD2
SCHEMBL6211708 0.91 ABCB1 (0.63) ABCB1USP2ALDH1A1LMNATP53
SCHEMBL6214602 0.91 ABCB1 (0.45) ABCB1CCR1HRH1CCR3DRD2
SCHEMBL6214634 0.88 ABCB1 (0.59) ABCB1USP2ALDH1A1LMNATP53
SCHEMBL6211818 0.88 HRH1 (0.61) ABCB1USP2ALDH1A1LMNATP53
SCHEMBL6212264 0.87 DRD4 (0.49) USP2LMNATSHRKMT2ACCR1
SCHEMBL6212555 0.87 CCR1 (0.57) TSHRCCR1HRH1CCR3DRD2
SCHEMBL6213426 0.87 DRD4 (0.44) ABCB1USP2TSHRCCR1HRH1
SCHEMBL6211304 0.87 CCR3 (0.44) ABCB1CCR1HRH1CCR3DRD2
SCHEMBL6211742 0.86 ABCB1 (0.62) ABCB1CCR1HRH1CCR3DRD2

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
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
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP 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 116/4885USP2 4002/4885ALDH1A1 1012/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 ABCB1 113/4885USP2 4415/4885ALDH1A1 924/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 ABCB1 132/4885USP2 3955/4885ALDH1A1 1466/4885

“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.