SCHEMBL6421704

SCHEMBL6421704

Cc1csc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
ESR2 Q92731 1/20 0.46
NR1H2 P55055 2/20 0.45
KCNQ2 O43526 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
ALDH1A1 P00352 1/20 0.40
C5AR1 P21730 1/20 0.40
MAPK1 P28482 1/20 0.40
MKNK1 Q9BUB5 4/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL17377231 0.86 ADORA1 (0.48) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL29978414 0.83 ADORA1 (0.46) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL21669702 0.83 ADORA1 (0.46) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL17798700 0.82 EED (0.49) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL21669697 0.82 ADORA1 (0.56) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL28449501 0.80 KCNQ2 (0.44) KCNQ2MAPTALDH1A1SMN1; SMN2
SCHEMBL29977848 0.79 ADORA1 (0.45) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL25363832 0.78 ADORA1 (0.54) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL6424372 0.78 ADORA1 (0.53) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL15862036 0.76 ADORA1 (0.61) ADORA1ESR2NR1H2MAPTKDM4E

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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
EP-3160466-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-03 EP disclosed
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP 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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ADORA1 2436/4885ESR2 2678/4885NR1H2 914/4885

“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.