SCHEMBL11033876

SCHEMBL11033876

NC(=O)C12CCCC(NC(=O)c3cccc(C(F)(F)F)c3)(CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
FPR2 P25090 6/20 0.47
GRM5 P41594 6/20 0.47
CES2 O00748 1/20 0.46
PTGS1 P23219 4/20 0.44
P2RX1 P51575 1/20 0.44
LMNA P02545 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KCNK3 O14649 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL11033370 1.00 NPSR1 (0.47) NPSR1FPR2GRM5CES2PTGS1
SCHEMBL11028187 0.86 GRM5 (0.57) FPR2GRM5CES2MAPTMEN1
SCHEMBL11032019 0.86 GRM5 (0.57) FPR2GRM5CES2MAPTMEN1
SCHEMBL11028750 0.86 GRM5 (0.57) FPR2GRM5CES2MAPTMEN1
SCHEMBL11030974 0.84 FPR2 (0.66) FPR2GRM5LMNAKCNK3MEN1
SCHEMBL11033371 0.84 NPSR1 (0.49) NPSR1FPR2GRM5CES2PTGS1
SCHEMBL11028967 0.84 GRM5 (0.64) FPR2GRM5
SCHEMBL11028866 0.84 GRM5 (0.64) FPR2GRM5
SCHEMBL11032468 0.84 GRM5 (0.64) FPR2GRM5
SCHEMBL11031568 0.84 FPR2 (0.66) FPR2GRM5LMNAKCNK3MEN1

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 11 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 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
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-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-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 NPSR1 1072/4885FPR2 2633/4885GRM5 3148/4885
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 NPSR1 1085/4885FPR2 2583/4885GRM5 3192/4885
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 NPSR1 1072/4885FPR2 2633/4885GRM5 3148/4885

“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.