SCHEMBL893472

SCHEMBL893472

O=C(O)C12CCCC(C(=O)O)(CCC1)C2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.37
FFAR3 O14843 1/20 0.36
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1C1 Q04828 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
SCHEMBL10151921 0.97 GRM1 (0.36) GRM1FFAR3CYP2C19SMN1; SMN2LMNA
SCHEMBL4442908 0.94 GRM1 (0.37) GRM1FFAR3CYP2C19SMN1; SMN2LMNA
SCHEMBL478303 0.87 GRM1 (0.40) GRM1FFAR3CYP2C19
SCHEMBL17893428 0.84 FFAR3 (0.38) GRM1FFAR3CYP2C19AKR1C1
SCHEMBL31179782 0.82 FFAR3 (0.40) GRM1FFAR3CYP2C19PKMMEN1
SCHEMBL1566238 0.82 NPSR1 (0.39) FFAR3LMNAMEN1KMT2A
SCHEMBL16933182 0.80 GRM1 (0.40) GRM1FFAR3CYP2C19
SCHEMBL1567508 0.80 NPSR1 (0.38) FFAR3LMNAMEN1KMT2A
SCHEMBL9142496 0.79 GRM1 (0.50) GRM1FFAR3LMNAPKML3MBTL1
SCHEMBL1648486 0.79 GRM1 (0.50) GRM1FFAR3LMNAPKML3MBTL1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623086-B1 Curable mixture comprising plasticisers with a polyalicyclic structure element for use in the production of dental materials. VOCO GMBH (DE) 2019-07-10 EP disclosed
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
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-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2016-11-10 US disclosed
US-9212165-B2 Bicarbocyclic and tricarbocyclic ethynyl derivatives and uses of same H. LUNDBECK A/S (DK) 2015-12-15 US disclosed
US-9079828-B2 Polymerizable compounds comprising a polyalicylic structure element VOCO GMBH (DE) 2015-07-14 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-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-11-27 US disclosed
EP-2623086-A2 Curable mixture comprising plasticisers with a polyalicyclic structure element for use in the production of dental materials. VOCO GmbH (DE) 2013-08-07 EP disclosed
EP-2436668-B1 Polymerisable compounds comprising a polyalicyclic structure element VOCO GMBH (DE) 2012-09-12 EP 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-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
EP-2436668-A1 Polymerisable compounds comprising a polyalicyclic structure element VOCO GmbH (DE) 2012-04-04 EP 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 (6 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 GRM1 2544/4885FFAR3 260/4885CYP2C19 63/4885
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG GRM1 1141/4885FFAR3 3959/4885CYP2C19 3441/4885
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 GRM1 2372/4885FFAR3 289/4885CYP2C19 87/4885
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 GRM1 2544/4885FFAR3 260/4885CYP2C19 63/4885
US-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME CBR1, CYCS, CYP3A43 GRM1 2638/4885FFAR3 2079/4885CYP2C19 32/4885
US-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME CBR1, CYCS, CYP3A43 GRM1 2638/4885FFAR3 2079/4885CYP2C19 32/4885

“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.