SCHEMBL16559337

SCHEMBL16559337

CNCC(=O)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
OPRM1 P35372 7/20 0.43
PDPK1 O15530 1/20 0.42
ACP3 P15309 1/20 0.42
HTR2C P28335 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 1/20 0.41
RET P07949 1/20 0.41
OPRK1 P41145 5/20 0.40
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
OPRD1 P41143 2/20 0.39

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
SCHEMBL22193827 0.89 OPRM1 (0.44) OPRM1SLC6A3OPRK1
SCHEMBL7171729 0.74 ACP3 (0.50) HDAC4HDAC7HDAC5PDPK1ACP3
SCHEMBL18029397 0.73 HDAC4 (0.51) HDAC4HDAC7HDAC5OPRM1ACP3
SCHEMBL4636666 0.72 ACP3 (0.52) HDAC4HDAC7HDAC5OPRM1ACP3
SCHEMBL3879203 0.72 TSHR (0.53) HDAC4HDAC7HDAC5OPRM1ACP3
SCHEMBL4541577 0.72 HDAC4 (0.79) HDAC4HDAC7HDAC5ACP3HTR2C
SCHEMBL15627453 0.72 HDAC4 (0.58) HDAC4HDAC7HDAC5HTR2CHTR2A
SCHEMBL17776038 0.71 DRD1 (0.64)
Cyheptamide SCHEMBL667894 0.71 ALDH1A1 (0.62) HDAC4HDAC7HDAC5ACP3HTR2C
SCHEMBL11105741 0.71 ACP3 (0.50) HDAC4HDAC7HDAC5ACP3HTR2C

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-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-06-24 US disclosed
US-10980805-B2 Aza-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2021-04-20 US disclosed
US-10702523-B2 AZA-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2020-07-07 US disclosed
US-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2020-01-30 US disclosed
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2019-10-17 US disclosed
US-10251882-B2 Aza-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-04-09 US disclosed
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. 2016-08-11 US disclosed
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. 2016-08-11 US disclosed
US-9328119-B2 AZA-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2016-05-03 US disclosed
US-9328119-B2 AZA-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2016-05-03 US disclosed
US-20150072982-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2015-03-12 US disclosed
US-20150072982-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2015-03-12 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 (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-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK HDAC4 199/4885HDAC7 443/4885HDAC5 173/4885
US-10980805-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK HDAC4 199/4885HDAC7 443/4885HDAC5 173/4885
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK HDAC4 199/4885HDAC7 443/4885HDAC5 173/4885
US-10251882-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK HDAC4 199/4885HDAC7 443/4885HDAC5 173/4885
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK HDAC4 199/4885HDAC7 443/4885HDAC5 173/4885
US-10702523-B2 AZA-pyridone compounds and uses thereof PNPO, ITPA, PDXK HDAC4 199/4885HDAC7 443/4885HDAC5 173/4885
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK HDAC4 199/4885HDAC7 443/4885HDAC5 173/4885
US-20150072982-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK HDAC4 199/4885HDAC7 443/4885HDAC5 173/4885

“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.