SCHEMBL664647

SCHEMBL664647

CC(C)(C)c1cccc([Mg]Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
KIF11 P52732 3/20 0.41
ACHE P22303 3/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL538930 0.78 TSHR (0.48) ALDH1A1TDP1GAAMAPT
SCHEMBL7849448 0.78 HDAC8 (0.42) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL1987884 0.77 GABRA1 (0.52) ACHERXRARXRBALDH1A1HPGD
SCHEMBL129151 0.75 HDAC8 (0.56) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL11624973 0.75 TSHR (0.39) KIF11ALDH1A1RAB9ACA2MEN1
Bromide SCHEMBL7971154 0.74 HDAC8 (0.39) HDAC8HDAC4HDAC2KIF11ACHE
Water SCHEMBL29289408 0.73 HDAC8 (0.54) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL663624 0.72 TSHR (0.48) KIF11ACHEALDH1A1HPGDALOX15
SCHEMBL7203019 0.72 KIF11 (0.52) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL64291 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217062-B1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-10-09 EP disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240208914-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
CN-115335365-B Aminocyclobutane as monoacylglycerol lipase modulators 詹森药业有限公司 2024-06-18 CN disclosed
US-11919870-B2 Aminocyclobutanes as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2024-03-05 US disclosed
US-11897872-B2 Azaspirocycles as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
US-20230331686-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-19 US disclosed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
WO-2021191390-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
EP-2536733-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
EP-2675811-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2013-12-25 EP disclosed
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
EP-2536733-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2012-12-26 EP disclosed
WO-2012110599-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 WO disclosed
US-20120053197-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 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 (10 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-11919870-B2 Aminocyclobutanes as monoacylglycerol lipase modulators MGLL, DAGLB, FAAH HDAC8 2527/4885HDAC4 3231/4885HDAC2 1013/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 HDAC8 1852/4885HDAC4 1258/4885HDAC2 506/4885
US-20120053197-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION CETP, MTTP, CES1 HDAC8 1520/4885HDAC4 1391/4885HDAC2 1648/4885
US-11897872-B2 Azaspirocycles as monoacylglycerol lipase modulators MGLL, LPAR1, LPL HDAC8 1847/4885HDAC4 1404/4885HDAC2 506/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP HDAC8 1399/4885HDAC4 1404/4885HDAC2 659/4885
US-20230331686-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, DAGLB, FAAH HDAC8 2527/4885HDAC4 3231/4885HDAC2 1013/4885
US-20240208914-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, DAGLB, FAAH HDAC8 2527/4885HDAC4 3231/4885HDAC2 1013/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP HDAC8 1339/4885HDAC4 1354/4885HDAC2 620/4885
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation CETP, MTTP, CES1 HDAC8 1520/4885HDAC4 1391/4885HDAC2 1648/4885
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION CETP, MTTP, CES1 HDAC8 1520/4885HDAC4 1391/4885HDAC2 1648/4885

“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.