SCHEMBL6217490

SCHEMBL6217490

COC(=O)CNC(=O)c1ccccc1OCC(O)CN1CCCC(COc2ccc(Cl)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.53
HSD17B10 Q99714 1/20 0.50
ABCB1 P08183 7/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DRD4 P21917 1/20 0.43
CCR1 P32246 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL27587199 0.93 CYP2D6 (0.53) CYP2D6HSD17B10ABCB1MEN1KMT2A
SCHEMBL27552712 0.89 CYP2D6 (0.51) CYP2D6HSD17B10ABCB1MEN1KMT2A
SCHEMBL6211314 0.88 ABCB1 (0.61) HSD17B10ABCB1KMT2A
SCHEMBL27587202 0.87 HSD17B10 (0.50) CYP2D6HSD17B10ABCB1MEN1KMT2A
SCHEMBL6216434 0.86 ABCB1 (0.62) HSD17B10ABCB1MEN1KMT2ADRD4
SCHEMBL6502923 0.85 CYP2D6 (0.52) CYP2D6HSD17B10ABCB1DRD4CCR1
SCHEMBL6213280 0.85 HSD17B10 (0.53) CYP2D6HSD17B10ABCB1MEN1KMT2A
SCHEMBL6214184 0.84 HSD17B10 (0.52) CYP2D6HSD17B10ABCB1MEN1KMT2A
SCHEMBL6210324 0.84 CYP2D6 (0.55) CYP2D6ABCB1DRD4CCR1SCN1A
SCHEMBL6212731 0.82 ABCB11 (0.56) CYP2D6HSD17B10ABCB1MEN1KMT2A

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 17 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
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
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 CYP2D6 7/4885HSD17B10 1965/4885ABCB1 116/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 CYP2D6 8/4885HSD17B10 2201/4885ABCB1 113/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 CYP2D6 7/4885HSD17B10 2098/4885ABCB1 132/4885

“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.