SCHEMBL578533

SCHEMBL578533

COCc1ccc2c(c1)CC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
AHR P35869 2/20 0.51
GRIA1 P42261 2/20 0.47
CACNG8 Q8WXS5 2/20 0.47
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
ABCB1 P08183 1/20 0.46
SMYD3 Q9H7B4 1/20 0.45
PDK2 Q15119 1/20 0.44
EPHX2 P34913 2/20 0.44
PGR P06401 1/20 0.43
EIF2AK2 P19525 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41

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
SCHEMBL12470247 0.87 EIF2AK2 (0.54) MAOBAHRPDE3BPDE3AABCB1
SCHEMBL7121335 0.81 AHR (0.56) MAOBAHRGRIA1CACNG8PDE3B
SCHEMBL578518 0.81 AHR (0.56) MAOBAHRGRIA1CACNG8PDE3B
SCHEMBL8670836 0.81 AHR (0.59) MAOBAHRGRIA1CACNG8PDE3B
SCHEMBL10722015 0.79 SMYD3 (0.56) MAOBAHRGRIA1CACNG8ABCB1
SCHEMBL7349900 0.79 AHR (0.53) MAOBAHRGRIA1CACNG8PDE3B
SCHEMBL24570672 0.78 AHR (0.61) MAOBAHRGRIA1CACNG8PDE3B
SCHEMBL1681854 0.78 AHR (0.56) MAOBAHRGRIA1CACNG8PDE3B
SCHEMBL260278 0.78 AHR (0.56) MAOBAHRGRIA1CACNG8PDE3B
SCHEMBL22636513 0.78 AHR (0.56) MAOBAHRGRIA1CACNG8PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110864-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-04-26 US disclosed
EP-2556070-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES University Health Network (CA) 2013-02-13 EP disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
WO-2011123947-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed
US-4977153-A BETA ADRENOCEPTOR BLOCKING AGENTS Louis, William J. (AU) 1990-12-11 US disclosed
EP-0221958-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-11-25 EP disclosed
EP-0221958-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-05-20 EP disclosed
WO-1986006717-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LOUIS WILLIAM JOHN (AU) 1986-11-20 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 (1 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-20180110864-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 MAOB 409/4885AHR 2370/4885GRIA1 1925/4885

“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.