SCHEMBL5455289

SCHEMBL5455289

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)CCCCNC(=O)OC(C)(C)C)C2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.52
HTR1A P08908 3/20 0.45
SUV39H2 Q9H5I1 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
TDP1 Q9NUW8 1/20 0.40
DRD4 P21917 2/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL5457335 0.97 DRD2 (0.51) DRD2HTR1ASUV39H2SIGMAR1TDP1
SCHEMBL5455064 0.94 DRD2 (0.49) DRD2HTR1ASUV39H2SIGMAR1HTR1D
SCHEMBL5452326 0.88 DRD2 (0.46) DRD2HTR1ASIGMAR1HTR1DHTR1B
SCHEMBL5448066 0.85 DRD2 (0.54) DRD2HTR1ADRD4
SCHEMBL5453590 0.85 WDR5 (0.45) DRD2HTR1ASIGMAR1HTR1DHTR1B
SCHEMBL5448035 0.84 DRD3 (0.50) DRD2HTR1ADRD4
SCHEMBL5454904 0.84 HTR1A (0.49) DRD2HTR1ADRD4
SCHEMBL5452400 0.83 HTR1A (0.51) DRD2HTR1ASIGMAR1HTR1DHTR1B
SCHEMBL5450130 0.82 DRD2 (0.52) DRD2HTR1ADRD4
SCHEMBL5458682 0.82 HTR1A (0.49) DRD2HTR1ASIGMAR1HTR1DHTR1B

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 DRD2 27/4885HTR1A 3/4885SUV39H2 944/4885

“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.