SCHEMBL1787160

SCHEMBL1787160

CC1(C)CCC(N(C(=O)O)C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.36
F11 P03951 3/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
LIPG Q9Y5X9 4/20 0.35
LPL P06858 3/20 0.35
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 6/20 0.34
P4HB P07237 1/20 0.34
F10 P00742 1/20 0.34
ESR2 Q92731 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
DGAT1 O75907 1/20 0.31
USP30 Q70CQ3 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL3345456 0.74 LIPG (0.43) F2F11PRSS1PRSS2PRSS3
SCHEMBL1789484 0.74 AAK1 (0.37) F2F11PRSS1PRSS2PRSS3
SCHEMBL1787159 0.70 AAK1 (0.39) F2F11PRSS1PRSS2PRSS3
SCHEMBL3341978 0.69 CA1 (0.40) F2F11PRSS1PRSS2PRSS3
SCHEMBL17289554 0.68 F11 (0.42) F2F11PRSS1PRSS2PRSS3
SCHEMBL17289557 0.68 F11 (0.42) F2F11PRSS1PRSS2PRSS3
SCHEMBL24619885 0.68 AAK1 (0.42) F2F11PRSS1PRSS2PRSS3
SCHEMBL23306187 0.66 LIPG (0.45) F2F11PRSS1PRSS2PRSS3
SCHEMBL10254165 0.66 LIPG (0.45) F2F11PRSS1PRSS2PRSS3
SCHEMBL15774823 0.66 LPL (0.47) F2F11PRSS1PRSS2PRSS3

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 F2 4502/4885F11 4402/4885PRSS1 3008/4885

“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.