SCHEMBL5455064

SCHEMBL5455064

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
SIGMAR1 Q99720 3/20 0.44
HTR1A P08908 4/20 0.41
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
MTHFD2 P13995 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
WDR5 P61964 1/20 0.37

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 0.95 DRD2 (0.51) DRD2SIGMAR1HTR1AHTR1DHTR1B
SCHEMBL5455289 0.94 DRD2 (0.52) DRD2SIGMAR1HTR1AHTR1DHTR1B
SCHEMBL5452326 0.91 DRD2 (0.46) DRD2SIGMAR1HTR1AHTR1DHTR1B
SCHEMBL5445027 0.84 DRD2 (0.49) DRD2HTR1A
SCHEMBL5453590 0.84 WDR5 (0.45) DRD2SIGMAR1HTR1AHTR1DHTR1B
SCHEMBL5448061 0.82 HTR1A (0.48) DRD2SIGMAR1HTR1AHTR1DHTR1B
SCHEMBL5461519 0.81 HTR1A (0.46) DRD2SIGMAR1HTR1AHTR1DHTR1B
SCHEMBL5458753 0.81 HTR1A (0.49) DRD2SIGMAR1HTR1AHTR1DHTR1B
SCHEMBL5458682 0.81 HTR1A (0.49) DRD2SIGMAR1HTR1AHTR1DHTR1B
SCHEMBL5449579 0.80 HTR1A (0.43) DRD2SIGMAR1HTR1AHTR1DHTR1B

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 27/4885SIGMAR1 1001/4885HTR1A 3/4885

“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.