SCHEMBL18549869

SCHEMBL18549869

CC(C)Oc1ccc(-c2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
GRAMD1A Q96CP6 1/20 0.56
GCK P35557 2/20 0.45
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
MTOR P42345 3/20 0.41
PDE10A Q9Y233 2/20 0.41
MAP3K5 Q99683 2/20 0.41
ENPP2 Q13822 1/20 0.40
ACACB O00763 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ABCB1 P08183 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 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
SCHEMBL28745150 0.88 HSP90AA1 (0.46) MAPTGRAMD1AHSP90AA1HSP90B1PDE10A
SCHEMBL12706798 0.87 MAPT (0.59) MAPTGRAMD1AESR2NR1H2MTOR
SCHEMBL1014594 0.87 MAPT (0.59) MAPTGRAMD1AESR2NR1H2MTOR
SCHEMBL16836075 0.86 MAPT (0.58) MAPTGRAMD1AESR2NR1H2MTOR
SCHEMBL30785603 0.86 MAPT (0.62) MAPTESR2NR1H2PDE10AENPP2
SCHEMBL6294666 0.86 MAPT (0.62) MAPTESR2NR1H2PDE10AENPP2
SCHEMBL16836112 0.85 MAPT (0.57) MAPTGRAMD1AESR2NR1H2MTOR
SCHEMBL18549910 0.84 MAPT (0.56) MAPTGRAMD1AESR2NR1H2MTOR
SCHEMBL1017519 0.84 MAPT (0.57) MAPTGRAMD1AGCKESR2NR1H2
SCHEMBL16836132 0.83 MAPT (0.55) MAPTESR2NR1H2MTORPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 US disclosed
EP-3341369-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Inc. (US) 2018-07-04 EP disclosed
WO-2017036978-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS ABBVIE INC. (US) 2017-03-09 WO disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 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 (2 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-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 MAPT 3696/4885GRAMD1A 4528/4885GCK 1705/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 MAPT 3696/4885GRAMD1A 4528/4885GCK 1705/4885

“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.