Sugi Predict

Sugi Predict / Compounds / SCHEMBL3341978

SCHEMBL3341978

SCHEMBL3341978

CC1(C)CCC(N(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HIF1A Q16665 5/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ C5AR1 P21730 1/20 0.36
▸ P4HB P07237 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ LIPG Q9Y5X9 2/20 0.34
▸ LPL P06858 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33

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
SCHEMBL16468001 0.93 CA1 (0.43) CA1CA2CA9HIF1AAAK1
SCHEMBL1789481 0.87 AAK1 (0.45) CA1CA2CA9HIF1AAAK1
SCHEMBL3345456 0.82 LIPG (0.43) CA1CA2CA9P4HBLIPG
SCHEMBL16491271 0.80 AAK1 (0.48) CA1CA2CA9HIF1AAAK1
SCHEMBL1789484 0.79 AAK1 (0.37) CA1CA2CA9HIF1AAAK1
SCHEMBL16468543 0.78 CA1 (0.48) CA1CA2CA9HIF1AAAK1
SCHEMBL16468105 0.75 CA1 (0.45) CA1CA2CA9HIF1AAAK1
SCHEMBL14293299 0.75 KDM4E (0.48) CA1CA2CA9HIF1AAAK1
SCHEMBL16468314 0.75 CA1 (0.44) CA1CA2CA9HIF1AAAK1
SCHEMBL13362285 0.75 AAK1 (0.34) AAK1C5AR1

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-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 — — US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 — — US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 — — US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 — — 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 (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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 CA1 3837/4885CA2 3545/4885CA9 4202/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 CA1 4423/4885CA2 3690/4885CA9 4697/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 CA1 4423/4885CA2 3690/4885CA9 4697/4885

“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.