SCHEMBL20329971

SCHEMBL20329971

CCCCCCN1Cc2ccccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.61
DRD2 P14416 4/20 0.59
DRD5 P21918 4/20 0.59
DRD3 P35462 4/20 0.59
HTR1A P08908 1/20 0.59
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL18612248 1.00 HTR7 (0.61) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL13910341 1.00 HTR7 (0.61) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL29531994 1.00 HTR7 (0.61) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL29532002 0.98 DRD2 (0.60) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL18030756 0.98 DRD2 (0.60) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL22291829 0.94 KDM4E (0.60) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL29531631 0.94 KDM4E (0.60) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL8242914 0.87 KDM4E (0.64) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL31252767 0.87 KDM4E (0.64) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL9376168 0.84 HTR7 (0.61) HTR7DRD2DRD5DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113403635-B Method for preparing N-substituted pyrrolidone derivative 五邑大学 2022-05-03 CN disclosed
US-11191741-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2021-12-07 US disclosed
CN-113403635-A Method for preparing N-substituted pyrrolidone derivative 五邑大学 2021-09-17 CN disclosed
US-10994015-B2 EGFR proteolysis targeting chimeric molecules and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-05-04 US disclosed
CN-107663182-B Glutamine metabolism inhibitor compound 杭州健昵福生物科技有限公司 2020-12-22 CN disclosed
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-07-12 US disclosed
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2018-06-28 US disclosed
CN-107663182-A A kind of glutamine metabolism inhibitor compound 杭州健昵福生物科技有限公司 2018-02-06 CN 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-11191741-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL HTR7 4132/4885DRD2 4554/4885DRD5 3959/4885
US-10994015-B2 EGFR proteolysis targeting chimeric molecules and associated methods of use EGFR, ERBB2, ERBB3 HTR7 3854/4885DRD2 4535/4885DRD5 3820/4885
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE EGFR, ERBB2, ERBB3 HTR7 3854/4885DRD2 4535/4885DRD5 3820/4885
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL HTR7 4132/4885DRD2 4554/4885DRD5 3959/4885

“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.