SCHEMBL9951769

SCHEMBL9951769

NC(=O)C12CCCC(CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
PKM P14618 1/20 0.32
HSD11B1 P28845 3/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL30444365 0.96 PKM (0.34) ALDH1A1HTTNPSR1KMT2ACRHBP
SCHEMBL218350 0.91 ALDH1A1 (0.40) ALDH1A1HTTNPSR1KMT2ACRHBP
SCHEMBL13901914 0.89 PKM (0.33) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL27258766 0.84
SCHEMBL11015180 0.83 ALDH1A1 (0.36) ALDH1A1HTTNPSR1KMT2APKM
SCHEMBL15515078 0.83 ALDH1A1 (0.36) ALDH1A1HTTNPSR1KMT2AHSD11B1
SCHEMBL7481619 0.80 ALDH1A1 (0.39) ALDH1A1HTTNPSR1KMT2ACRHBP
SCHEMBL1502471 0.79 PKM (0.39) ALDH1A1HTTNPSR1PKM
SCHEMBL1374984 0.77 CYP1A2 (0.34) ALDH1A1PKMHSD11B1L3MBTL1
SCHEMBL15514504 0.77 HSD11B1 (0.33) ALDH1A1HTTNPSR1KMT2ACRHBP

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 25 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
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-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
EP-2654422-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2013-10-30 EP disclosed
CN-103369961-A Bicyclo [3.2.1] octylamide derivatives and uses thereof LUNDBECK & AMP 2013-10-23 CN disclosed
CN-103369961-A Bicyclo [3.2.1] octylamide derivatives and uses thereof LUNDBECK & AMP 2013-10-23 CN 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
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 (2 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 ALDH1A1 363/4885HTT 3404/4885NPSR1 1072/4885
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 ALDH1A1 363/4885HTT 3404/4885NPSR1 1072/4885

“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.