SCHEMBL1789484

SCHEMBL1789484

CC1(C)CCC(N(CC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(C)(C)C)C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
P4HB P07237 1/20 0.33
HIF1A Q16665 4/20 0.33
F2 P00734 2/20 0.33
F11 P03951 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
DGAT1 O75907 1/20 0.32
LIPG Q9Y5X9 2/20 0.31
LPL P06858 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL3341978 0.79 CA1 (0.40) AAK1CA1CA2CA9P4HB
SCHEMBL3345456 0.78 LIPG (0.43) CA1CA2CA9P4HBF2
SCHEMBL1787159 0.74 AAK1 (0.39) AAK1CA1CA2CA9F2
SCHEMBL1787160 0.74 F2 (0.36) AAK1CA1CA2CA9P4HB
SCHEMBL1789481 0.73 AAK1 (0.45) AAK1CA1CA2CA9HIF1A
SCHEMBL16468001 0.72 CA1 (0.43) AAK1CA1CA2CA9P4HB
SCHEMBL28895528 0.71 CA1 (0.44) AAK1CA1CA2CA9P4HB
SCHEMBL4084426 0.69 CA1 (0.47) AAK1CA1CA2CA9P4HB
SCHEMBL2559060 0.66 LIPG (0.48) CA1CA2CA9P4HBF2
SCHEMBL12077661 0.66 CA1 (0.48) AAK1CA1CA2CA9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 AAK1 1001/4885CA1 4423/4885CA2 3690/4885

“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.