SCHEMBL10151699

SCHEMBL10151699

COC(=O)C12CCCC(NC(=O)OCc3ccccc3)(CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.46
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
CHRM1 P11229 1/20 0.42
CTSK P43235 2/20 0.42
PPIA P62937 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2823474 0.95 CTSB (0.46) CTSBCTSSCTSLCHRM1CTSK
SCHEMBL9952383 0.91 CTSB (0.44) CTSBCTSSCTSLCTSKALDH1A1
SCHEMBL9951765 0.89 CTSS (0.46) CTSBCTSSCTSLCTSKALDH1A1
SCHEMBL1305698 0.88 CHRM1 (0.50) CTSBCTSSCTSLCHRM1CTSK
SCHEMBL9951842 0.87 CTSS (0.44) CTSBCTSSCTSLCTSKALDH1A1
SCHEMBL18038887 0.86 CTSL (0.46) CTSBCTSSCTSLMEN1KMT2A
SCHEMBL17141146 0.86 CTSL (0.51) CTSBCTSSCTSLALDH1A1GAA
SCHEMBL19199716 0.85 CHRM1 (0.38) CTSBCTSSCTSLCHRM1CTSK
SCHEMBL2826325 0.84 CTSL (0.46) CTSBCTSSCTSLALDH1A1GAA
SCHEMBL9951674 0.82 CTSB (0.48) CTSBCTSSCTSLCTSKMEN1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763980-B1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H LUNDBECK AS (DK) 2018-04-25 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
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-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-11-27 US disclosed
US-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-11-27 US disclosed
US-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-11-27 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

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 CTSB 2815/4885CTSS 2644/4885CTSL 1854/4885
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 CTSB 2815/4885CTSS 2644/4885CTSL 1854/4885
US-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME CBR1, CYCS, CYP3A43 CTSB 819/4885CTSS 973/4885CTSL 1255/4885

“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.