SCHEMBL5465823

SCHEMBL5465823

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)CNC(=O)c1ccncc1)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
ADRA1A P35348 1/20 0.48
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5456990 0.91 ALDH1A1 (0.52) HTR1AALDH1A1L3MBTL1SMN1; SMN2DRD4
SCHEMBL5459160 0.90 ALDH1A1 (0.59) HTR1AALDH1A1L3MBTL1SMN1; SMN2DRD3
SCHEMBL5448637 0.90 HTR1A (0.50) HTR1AADRA1ADRD4DRD3
SCHEMBL5454904 0.89 HTR1A (0.49) HTR1AADRA1ADRD4DRD3
SCHEMBL5452326 0.82 DRD2 (0.46) HTR1AALDH1A1L3MBTL1HTR1DHTR1B
SCHEMBL5445027 0.82 DRD2 (0.49) HTR1AADRA1ADRD4DRD3HTT
SCHEMBL14596928 0.81 WDR5 (0.47) HTR1ADRD4DRD3HTR1DHTR1B
SCHEMBL5450130 0.80 DRD2 (0.52) HTR1AADRA1ADRD4DRD3
SCHEMBL5448066 0.80 DRD2 (0.54) HTR1AADRA1ADRD4DRD3
SCHEMBL5454844 0.80 DRD2 (0.49) HTR1AADRA1AALDH1A1L3MBTL1DRD4

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 HTR1A 3/4885ADRA1A 74/4885ALDH1A1 816/4885

“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.