SCHEMBL2696963

SCHEMBL2696963

CC(C)(c1ccccc1)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.53
KCNA5 P22460 2/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
ACHE P22303 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38

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
SCHEMBL23805939 0.89 CYP2B6 (0.53) CYP2B6SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL12449606 0.84 SIGMAR1 (0.50) CYP2B6SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL8354801 0.82 CYP2B6 (0.44) CYP2B6SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL30364035 0.81 CYP2B6 (0.88) CYP2B6SMN1; SMN2LMNAALDH1A1OPRM1
SCHEMBL19011533 0.81 CYP2B6 (0.96) CYP2B6SMN1; SMN2LMNAOPRM1MEN1
SCHEMBL578326 0.81 ALDH1A1 (0.44) CYP2B6SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL11541847 0.81 SMN1; SMN2 (0.54) CYP2B6SMN1; SMN2KCNA5LMNAGAA
SCHEMBL10611 0.81 CYP2B6 (0.43) CYP2B6SMN1; SMN2LMNAALDH1A1HIF1A
SCHEMBL11541844 0.81 SMN1; SMN2 (0.54) CYP2B6SMN1; SMN2KCNA5LMNAGAA
SCHEMBL435727 0.79 LMNA (0.48) CYP2B6SMN1; SMN2KCNA5LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129152-A1 Compounds Comprising Perfluorinated Group, Photoinitiator Group, and Amide Linking Group 3M INNOVATIVE PROPERTIES COMPANY 2023-04-27 US disclosed
CN-114805727-A Process for preparing molded flexible foams and flexible foams prepared therefrom 科思创有限公司 2022-07-29 CN disclosed
CN-114773561-A Process for producing molded flexible foam and flexible foam produced by the process 科思创有限公司 2022-07-22 CN disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
US-7247731-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-07-24 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 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 (4 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-20230129152-A1 Compounds Comprising Perfluorinated Group, Photoinitiator Group, and Amide Linking Group PFAS, AFF4, AFF1 CYP2B6 905/4885SMN1; SMN2 3826/4885KCNA5 1573/4885
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 CYP2B6 2859/4885SMN1; SMN2 3414/4885KCNA5 3821/4885
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 CYP2B6 61/4885SMN1; SMN2 4366/4885KCNA5 1721/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 CYP2B6 2859/4885SMN1; SMN2 3414/4885KCNA5 3821/4885

“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.