SCHEMBL14925535

SCHEMBL14925535

CC(C)c1cc2c(o1)CN(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
SLC6A4 P31645 2/20 0.40
DRD1 P21728 5/20 0.37
DRD5 P21918 4/20 0.37
DRD3 P35462 3/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
F10 P00742 1/20 0.34
CYP2D6 P10635 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL14925529 0.78 PNMT (0.39) DRD1DRD2KCNH2
SCHEMBL10512470 0.78 MAOA (0.44) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL10511990 0.77 MAOA (0.37) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL21362949 0.74 HRH3 (0.34)
SCHEMBL21126290 0.74 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL10515155 0.74 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL10513562 0.72 MAOA (0.39) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL10524531 0.72 KDM4E (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL14496914 0.71 F10 (0.47) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL10513652 0.71 MAOA (0.38) MAOAMAOBSLC6A4DRD1DRD5

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-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 US disclosed
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 US disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 US disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 US disclosed
US-9238655-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2016-01-19 US disclosed
US-8921353-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-12-30 US disclosed
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH INC (US) 2014-12-25 US disclosed
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2014-07-10 US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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 (6 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-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK MAOA 1507/4885MAOB 1214/4885SLC6A4 4477/4885
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK MAOA 1507/4885MAOB 1214/4885SLC6A4 4477/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 MAOA 1670/4885MAOB 1200/4885SLC6A4 4006/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 MAOA 1556/4885MAOB 1057/4885SLC6A4 4486/4885
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 MAOA 1670/4885MAOB 1200/4885SLC6A4 4006/4885
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 MAOA 1556/4885MAOB 1057/4885SLC6A4 4486/4885

“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.