SCHEMBL5450130

SCHEMBL5450130

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)CCCNC(=O)c1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.52
DRD3 P35462 12/20 0.52
DRD4 P21917 8/20 0.52
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR1A P08908 2/20 0.47
KCNH2 Q12809 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL5448066 0.97 DRD2 (0.54) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL5445027 0.95 DRD2 (0.49) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL5454844 0.92 DRD2 (0.49) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5448637 0.91 HTR1A (0.50) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL5448035 0.90 DRD3 (0.50) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5456990 0.89 ALDH1A1 (0.52) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL5454904 0.89 HTR1A (0.49) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL5457335 0.85 DRD2 (0.51) DRD2DRD4HTR1A
SCHEMBL5455289 0.82 DRD2 (0.52) DRD2DRD4HTR1A
SCHEMBL5458682 0.82 HTR1A (0.49) DRD2HTR1A

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 5 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
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
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 27/4885DRD3 92/4885DRD4 65/4885

“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.