SCHEMBL6922800

SCHEMBL6922800

CCCC1CCC(=NO)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
ESR2 Q92731 2/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
FYN P06241 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
CYP2C9 P11712 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 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
SCHEMBL28911294 0.88 HTT (0.49) ALDH1A1KMT2AMAPTMAPK1GAA
SCHEMBL28541098 0.86 HTT (0.43) ALDH1A1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL18922351 0.84 HTT (0.42) ALDH1A1KMT2AMAPK1SMN1; SMN2MEN1
SCHEMBL1241438 0.82 TSHR (0.40) ALDH1A1KMT2AGAASMN1; SMN2ESR2
SCHEMBL21872488 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMAPK1GAA
SCHEMBL9572102 0.77 HTT (0.47) ALDH1A1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL31621897 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL26557416 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL28029980 0.75 FYN (0.43) ALDH1A1KMT2AMAPTMAPK1GAA
SCHEMBL27383074 0.74

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
CN-112574079-A 2, 2-difluoro-N- (2-thioether cyclohexyl-1-alkene-1-base) acetamide and derivative and synthesis method thereof 湖南工程学院 2021-03-30 CN claimed
WO-2025118590-A1 HIGHLY-TRANSPARENT NYLON ELASTOMER POLYMER, PREPARATION METHOD, AND POLYMER THIN FILM 浙江工业大学 2025-06-12 WO disclosed
CN-117487156-A High-transparency nylon elastomer polymer, preparation method and polymer film 浙江工业大学 2024-02-02 CN disclosed
CN-112574079-A 2, 2-difluoro-N- (2-thioether cyclohexyl-1-alkene-1-base) acetamide and derivative and synthesis method thereof 湖南工程学院 2021-03-30 CN disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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 (3 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 ALDH1A1 1721/4885KMT2A 944/4885MAPT 298/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885KMT2A 944/4885MAPT 298/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885KMT2A 944/4885MAPT 298/4885

“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.