SCHEMBL2876322

SCHEMBL2876322

COC(=O)C1CCCC(CCCl)(C(=O)OC)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
GAA P10253 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
SCHEMBL9959154 0.93 CYP4F2 (0.44) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL11033875 0.88 CYP4F2 (0.41) CYP4F2CYP4A11NPSR1MAPT
SCHEMBL2876067 0.84 CYP4F2 (0.39) CYP4F2CYP4A11SMN1; SMN2ALDH1A1TP53
SCHEMBL2824808 0.81 CYP4F2 (0.41) CYP4F2CYP4A11SMN1; SMN2ALDH1A1TP53
SCHEMBL19192596 0.79 CYP4F2 (0.41) CYP4F2CYP4A11NPSR1MAPT
SCHEMBL20082877 0.74 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1NPSR1MAPT
SCHEMBL17896044 0.73 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53NPSR1POLB
SCHEMBL17892801 0.73 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53NPSR1POLB
SCHEMBL20730162 0.72 CYP4F2 (0.65) CYP4F2CYP4A11
SCHEMBL28419664 0.72 CYP4F2 (0.41) CYP4F2CYP4A11NPSR1

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 31 patents — showing the first 20. 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-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2016-11-10 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
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
EP-1794120-B1 PEPTIDASE INHIBITORS NUADA LLC (US) 2012-04-11 EP disclosed
US-7842707-B2 Peptidase inhibitors NUADA, LLC (US) 2010-11-30 US disclosed
US-20080234292-A1 Such as S)-(1-(1-Aminobicyclo[2.2.2]oct-4-yl)aminoacetyl)-2-cyanopyrrolidine; inhibitors of the enzyme dipeptidyl peptidase; antidiabetic agents NUADA, LLC 2008-09-25 US disclosed
EP-1794120-A2 PEPTIDASE INHIBITORS Royalty, Susan Marie (US) 2007-06-13 EP disclosed
WO-2006012441-A1 PEPTIDASE INHIBITORS ROYALTY SUSAN MARIE (US) 2006-02-02 WO disclosed
WO-2006012395-A2 PEPTIDASE INHIBITORS ROYALTY SUSAN MARIE (US) 2006-02-02 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 (4 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 CYP4F2 887/4885CYP4A11 330/4885SMN1; SMN2 3159/4885
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 CYP4F2 887/4885CYP4A11 330/4885SMN1; SMN2 3159/4885
US-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME CBR1, CYCS, CYP3A43 CYP4F2 91/4885CYP4A11 50/4885SMN1; SMN2 2389/4885
US-20080234292-A1 Such as S)-(1-(1-Aminobicyclo[2.2.2]oct-4-yl)aminoacetyl)-2-cyanopyrrolidine; inhibitors of the enzyme dipeptidyl peptidase; antidiabetic agents DPP3, DPP4, DPP7 CYP4F2 1520/4885CYP4A11 1009/4885SMN1; SMN2 3237/4885

“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.