SCHEMBL16559341

SCHEMBL16559341

CNCC(O)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
CARM1 Q86X55 4/20 0.45
PDPK1 O15530 1/20 0.42
HTR2A P28223 5/20 0.41
HRH1 P35367 4/20 0.41
RET P07949 1/20 0.41
SLC6A4 P31645 2/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACP3 P15309 1/20 0.39
TACR1 P25103 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
SCHEMBL16559386 0.88 SLC6A2 (0.40) SLC6A2CARM1HTR2ASLC6A4HTR2C
SCHEMBL16559388 0.85 SLC6A2 (0.39) SLC6A2CARM1PDPK1HTR2AHRH1
Hydrochloric Acid SCHEMBL17968250 0.83 HTR2A (0.38) SLC6A2PDPK1HTR2AHRH1RET
Hydrochloric Acid SCHEMBL16552476 0.83 CYP2D6 (0.41) HTR2AHRH1RETCHRM1DRD2
SCHEMBL6883953 0.81 HTR2A (0.44) PDPK1HTR2AHRH1RETCHRM1
SCHEMBL3394128 0.78 CARM1 (0.46) SLC6A2CARM1PDPK1HRH1
SCHEMBL16571162 0.78 SLC6A2 (0.42) SLC6A2CARM1HTR2ASLC6A4CHRM1
SCHEMBL16559364 0.78 HTR2A (0.40) SLC6A2CARM1HTR2ASLC6A4CHRM1
SCHEMBL16559367 0.78 SLC6A2 (0.40) SLC6A2CARM1HTR2AHRH1SLC6A4
Hydrochloric Acid SCHEMBL17968249 0.77 HTR2A (0.46) HTR2A

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 13 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
EP-3030566-B1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF JANSSEN BIOPHARMA INC (US) 2020-07-08 EP 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 SLC6A2 3848/4885CARM1 1699/4885PDPK1 893/4885
US-10980805-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK SLC6A2 3848/4885CARM1 1699/4885PDPK1 893/4885
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK SLC6A2 3848/4885CARM1 1699/4885PDPK1 893/4885
US-10251882-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK SLC6A2 3848/4885CARM1 1699/4885PDPK1 893/4885
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK SLC6A2 3848/4885CARM1 1699/4885PDPK1 893/4885
US-10702523-B2 AZA-pyridone compounds and uses thereof PNPO, ITPA, PDXK SLC6A2 3848/4885CARM1 1699/4885PDPK1 893/4885
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK SLC6A2 3848/4885CARM1 1699/4885PDPK1 893/4885
US-20150072982-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK SLC6A2 3848/4885CARM1 1699/4885PDPK1 893/4885

“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.