SCHEMBL5456815

SCHEMBL5456815

COc1ccc(Br)c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ESR2 Q92731 1/20 0.46
ADORA1 P30542 2/20 0.46
NR1H2 P55055 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP1A2 P05177 1/20 0.44
ABHD6 Q9BV23 1/20 0.43
PDE4B Q07343 2/20 0.43
STS P08842 1/20 0.43
UCHL1 P09936 1/20 0.43
P2RX3 P56373 3/20 0.42
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MKNK1 Q9BUB5 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
SCHEMBL16518060 0.95 CYP1A2 (0.47) KDM4EMAPTESR2ADORA1NR1H2
SCHEMBL28970129 0.90 CYP1A2 (0.45) KDM4EESR2NR1H2HDAC1HDAC6
SCHEMBL38653534 0.85 PTGDR2 (0.48) KDM4EMAPTESR2ADORA1NR1H2
SCHEMBL5442181 0.85 ESR2 (0.42) KDM4EMAPTESR2ADORA1NR1H2
SCHEMBL5093863 0.85 ESR2 (0.51) KDM4EMAPTESR2ADORA1NR1H2
SCHEMBL30704840 0.84 NR1H2 (0.52) KDM4EMAPTESR2ADORA1NR1H2
SCHEMBL29129828 0.84 NR1H2 (0.52) KDM4EMAPTESR2ADORA1NR1H2
SCHEMBL15056844 0.84 ESR2 (0.47) KDM4EMAPTESR2ADORA1NR1H2
SCHEMBL5090357 0.82 P2RX3 (0.45) ESR2HDAC1HDAC6STSP2RX3
SCHEMBL30329765 0.82 P2RX3 (0.45) ESR2HDAC1HDAC6STSP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A KDM4E 1824/4885MAPT 577/4885ESR2 1436/4885

“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.