SCHEMBL5454844

SCHEMBL5454844

COc1ccc(C(=O)NCCCC(=O)N2CCc3c(OC)ccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
DRD3 P35462 7/20 0.49
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NAMPT P43490 1/20 0.47
DRD4 P21917 6/20 0.47
GFER P55789 1/20 0.46
DPP4 P27487 1/20 0.45
HTR1A P08908 3/20 0.44
ADRA2A P08913 2/20 0.44
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL5448035 0.97 DRD3 (0.50) DRD2DRD3ALDH1A1L3MBTL1NAMPT
SCHEMBL5450130 0.92 DRD2 (0.52) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5448637 0.91 HTR1A (0.50) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL5448066 0.90 DRD2 (0.54) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5459160 0.89 ALDH1A1 (0.59) DRD2DRD3ALDH1A1L3MBTL1HTR1A
SCHEMBL5454904 0.88 HTR1A (0.49) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL5445027 0.87 DRD2 (0.49) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5457335 0.84 DRD2 (0.51) DRD2DRD4HTR1A
SCHEMBL5455289 0.82 DRD2 (0.52) DRD2DRD4HTR1A
SCHEMBL5458753 0.81 HTR1A (0.49) DRD2ALDH1A1HTR1AKMT2A

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 92/4885ALDH1A1 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.