SCHEMBL11028370

SCHEMBL11028370

Cc1cccc(C(=O)NC23CCCC(NC(=O)c4cncc(C)c4)(CC2)C3)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.77
FPR2 P25090 8/20 0.77
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NT5E P21589 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40

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
SCHEMBL11027762 0.91 GRM5 (0.73) GRM5FPR2HDAC6NPC1RAB9A
SCHEMBL11030302 0.91 GRM5 (0.67) GRM5FPR2KCNK3KCNK9
SCHEMBL11029132 0.89 GRM5 (0.79) GRM5FPR2NT5ELMNANPC1
SCHEMBL11031800 0.87 GRM5 (1.00) GRM5FPR2HDAC8HDAC6NT5E
SCHEMBL19193256 0.85 GRM5 (0.81) GRM5FPR2LMNA
SCHEMBL11942903 0.85 GRM5 (0.81) GRM5FPR2LMNA
SCHEMBL11942908 0.85 GRM5 (0.81) GRM5FPR2LMNA
SCHEMBL11029345 0.85 GRM5 (0.81) GRM5FPR2LMNA
SCHEMBL11031232 0.85 GRM5 (0.69) GRM5FPR2
SCHEMBL19192151 0.85 FPR2 (0.76) GRM5FPR2HDAC8HDAC6LMNA

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 22 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 claimed
US-9656975-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2017-05-23 US claimed
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2015-02-26 US claimed
US-8921370-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-12-30 US claimed
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-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
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

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 GRM5 3148/4885FPR2 2633/4885HDAC8 386/4885
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 GRM5 3192/4885FPR2 2583/4885HDAC8 610/4885
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 GRM5 3148/4885FPR2 2633/4885HDAC8 386/4885

“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.