SCHEMBL10080958

SCHEMBL10080958

CCc1ncc(C(C)C)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
PDE10A Q9Y233 7/20 0.36
CRHR1 P34998 2/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
PIK3CG P48736 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
FYN P06241 1/20 0.34
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL19343283 0.86 DPP4 (0.42) DHFRCRHR1P2RX3P2RX2HDAC4
SCHEMBL15462084 0.84 ACHE (0.33)
SCHEMBL25658891 0.78 RXRA (0.32)
SCHEMBL10080967 0.77 HTR2A (0.37) CRHR1P2RX3P2RX2HDAC4HDAC8
SCHEMBL24950445 0.76 NOS3 (0.33) PDE4D
SCHEMBL26788485 0.76 NOS3 (0.33)
SCHEMBL13634475 0.76 PDE10A (0.41) PDE10ACRHR1PIK3CGPTGS2
SCHEMBL19446104 0.76 PTGS2 (0.50) DHFRPDE10APIK3CGPTGS2
SCHEMBL11918255 0.76 ACHE (0.40) PDE10ACRHR1PIK3CGPTGS2
SCHEMBL8737264 0.76 HDAC4 (0.38) DHFRPDE10ACRHR1P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941133-B2 Compounds containing carbon-carbon linker as GPR120 agonists Piramal Enterprises Limited (IN) 2021-03-09 US disclosed
US-20180030031-A1 COMPOUNDS CONTAINING CARBON-CARBON LINKER AS GPR120 AGONISTS Piramal Enterprises Limited (IN) 2018-02-01 US disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 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 (7 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DHFR 2875/4885PDE10A 1449/4885CRHR1 4374/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DHFR 2875/4885PDE10A 1449/4885CRHR1 4374/4885
US-20180030031-A1 COMPOUNDS CONTAINING CARBON-CARBON LINKER AS GPR120 AGONISTS GPR180, GPR68, GPR88 DHFR 2661/4885PDE10A 1351/4885CRHR1 50/4885
US-10941133-B2 Compounds containing carbon-carbon linker as GPR120 agonists GPR180, GPR68, GPR88 DHFR 2661/4885PDE10A 1351/4885CRHR1 50/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG DHFR 1784/4885PDE10A 487/4885CRHR1 4484/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DHFR 2875/4885PDE10A 1449/4885CRHR1 4374/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DHFR 2875/4885PDE10A 1449/4885CRHR1 4374/4885

“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.