SCHEMBL6327607

SCHEMBL6327607

CCCC(O)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.36
CTSK P43235 6/20 0.36
CA14 Q9ULX7 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.34
CTSS P25774 1/20 0.33
PDK2 Q15119 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GBA1 P04062 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL15866143 0.88 CTSK (0.40) GPR88CTSKCA14CA12CA1
SCHEMBL21444884 0.85 CA14 (0.42) GPR88CTSKCA14CA12CA1
SCHEMBL754325 0.85 CTSK (0.37) GPR88CTSKCA14PDK2CHRNB2
SCHEMBL4632658 0.84 CTSK (0.39) CTSKCA14CA12CA1CA7
SCHEMBL3711368 0.81 CTSK (0.38) GPR88CTSKCA14CA1CA2
SCHEMBL7905771 0.80 CA14 (0.44) GPR88CTSKCA14CA12CA1
SCHEMBL4818893 0.80 CTSK (0.36) CTSKPDK2HDAC1HDAC2HDAC6
SCHEMBL16941095 0.79 CTSK (0.39) GPR88CTSKCA14CA12CA1
SCHEMBL21574215 0.78 CTSK (0.40) GPR88CTSKCA14CA12CA1
SCHEMBL16517171 0.78 CTSK (0.37) GPR88CTSKCA14PDK2CHRNB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900243-B2 Phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-05-31 US disclosed
EP-1263715-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030065174-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-03 US disclosed
EP-1263715-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062714-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES 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 (1 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-20030065174-A1 Novel phenylheteroalkylamine derivatives OPRK1, NOS2, OPRM1 GPR88 622/4885CTSK 1720/4885CA14 4749/4885

“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.