SCHEMBL3210071

SCHEMBL3210071

CCC(CC)c1cccc2c1n(Cc1ccc(OC)cc1)c(=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 3/20 0.42
P2RX4 Q99571 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TBXA2R P21731 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSPO P30536 1/20 0.38
MKNK2 Q9HBH9 1/20 0.37
NR1H2 P55055 1/20 0.37
GLA P06280 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL3202830 0.88 MEN1 (0.53) MEN1KMT2AGAAP2RX4L3MBTL1
SCHEMBL3203044 0.79 ALDH1A1 (0.48) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL2087105 0.78 ALDH1A1 (0.36) MEN1KMT2AGAAL3MBTL1LMNA
SCHEMBL3220778 0.74 MEN1 (0.43) MEN1KMT2AGAAP2RX4SMN1; SMN2
SCHEMBL3221008 0.70 MEN1 (0.50) MEN1KMT2AGAAP2RX4SMN1; SMN2
SCHEMBL3210120 0.70 KDM4E (0.49) MEN1KMT2AGAAP2RX4SMN1; SMN2
SCHEMBL23997395 0.70 MEN1 (0.59) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL30336707 0.70 MEN1 (0.59) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL28492451 0.70 MEN1 (0.56) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL25232919 0.69 CCR2 (0.55) MEN1KMT2AGAAL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030554-B1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-28 EP claimed
EP-3030554-A1 PIPERIDINE UREA DERIVATIVES Merck Patent GmbH (DE) 2016-06-15 EP claimed
WO-2015018475-A1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-12 WO claimed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP claimed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
EP-3030554-B1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
US-9770446-B2 Piperidine urea derivatives MERCK PATENT GMBH (DE) 2017-09-26 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
EP-1838674-A2 HETEROARYL SULFONAMIDES AND CCR2 ChemoCentryx Inc (US) 2007-10-03 EP disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20060173019-A1 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. 2006-08-03 US disclosed
WO-2006076644-A2 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. (US) 2006-07-20 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 (8 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-20060173019-A1 Heteroaryl sulfonamides and CCR2 CCR2, CXCR2, CCR1 MEN1 4873/4885KMT2A 1875/4885GAA 4664/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885GAA 4469/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 MEN1 4680/4885KMT2A 3284/4885GAA 4842/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885GAA 4469/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885GAA 4469/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885GAA 4469/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL MEN1 2464/4885KMT2A 830/4885GAA 792/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885KMT2A 2475/4885GAA 4469/4885

“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.