Sugi Predict

Sugi Predict / Compounds / SCHEMBL9959413

SCHEMBL9959413

SCHEMBL9959413

CCOC(=O)C12CCCC(C(=O)OCC)(CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ F10 P00742 2/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL22071002 0.94 SMN1; SMN2 (0.44) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL18891044 0.93 SMN1; SMN2 (0.39) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL9959011 0.93 SMN1; SMN2 (0.42) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL22640209 0.89 POLB (0.44) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL10151903 0.87 SMN1; SMN2 (0.38) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL22070560 0.86 SMN1; SMN2 (0.43) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL17893420 0.84 ALDH1A1 (0.46) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL29400940 0.84 SMN1; SMN2 (0.44) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL1305671 0.82 POLB (0.40) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL17048689 0.82 SMN1; SMN2 (0.42) SMN1; SMN2POLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3263566-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AS ALLOSTERIC MODULATORS OF THE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLU5 OR MGLUR5) FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS H. Lundbeck A/S (DK) 2018-01-03 — — EP disclosed
US-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same H. LUNDBECK A/S (DK) 2017-08-03 — — US disclosed
US-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same H. LUNDBECK A/S (DK) 2017-08-03 — — US disclosed
US-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same H. LUNDBECK A/S (DK) 2017-08-03 — — US disclosed
EP-2654422-B1 Bicyclo[3.2.1]octyl amide derivatives as allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5 or mGluR5) for the treatment of central nervous system (CNS) disorders H LUNDBECK AS (DK) 2017-08-02 — — EP disclosed
EP-2654422-B1 Bicyclo[3.2.1]octyl amide derivatives as allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5 or mGluR5) for the treatment of central nervous system (CNS) disorders H LUNDBECK AS (DK) 2017-08-02 — — EP disclosed
US-9656975-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2017-05-23 — — US disclosed
US-9656975-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2017-05-23 — — US disclosed
US-9656975-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2017-05-23 — — US disclosed
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2015-02-26 — — US disclosed
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2015-02-26 — — US disclosed
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2015-02-26 — — US disclosed
US-8921370-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-12-30 — — US disclosed
US-8921370-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-12-30 — — US disclosed
US-8921370-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-12-30 — — US disclosed
EP-2654422-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2013-10-30 — — EP disclosed
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-07-26 — — US disclosed
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-07-26 — — US disclosed
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-07-26 — — US disclosed
WO-2012088365-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-06-28 — — 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-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same SLC10A1, CLIC1, ABCB11 SMN1; SMN2 3159/4885POLB 2932/4885MEN1 1887/4885
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 SMN1; SMN2 2549/4885POLB 2770/4885MEN1 1833/4885
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 SMN1; SMN2 3159/4885POLB 2932/4885MEN1 1887/4885

“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.