SCHEMBL4401491

SCHEMBL4401491

COc1cccnc1N1CCN(CCN)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
DRD3 P35462 3/20 0.56
DRD4 P21917 1/20 0.56
HTR1A P08908 3/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 1/20 0.54
SLC2A1 P11166 1/20 0.47
SLC2A2 P11168 1/20 0.47
SLC2A3 P11169 1/20 0.47
ADRA1A P35348 4/20 0.45
ADRA1D P25100 2/20 0.44
ADRA1B P35368 2/20 0.44
SIGMAR1 Q99720 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
SCHEMBL7497109 0.83 DRD2 (0.59) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL10819371 0.82 DRD2 (0.56) DRD2DRD3DRD4SLC2A1SLC2A2
SCHEMBL4402731 0.81 DRD4 (0.54) DRD2DRD3DRD4HTR2AADRA1A
SCHEMBL4401487 0.80 ALDH1A1 (0.50) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL29086088 0.79 SLC2A1 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL30585959 0.79 SLC2A1 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9207789 0.78 DRD2 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL27815937 0.77 CYP1A2 (0.51) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL13532641 0.77 HTR1A (0.61) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4404160 0.77 DRD2 (0.75) DRD2DRD3HTR1AHTR7ADRA1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 DRD2 3882/4885DRD3 3114/4885DRD4 3571/4885

“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.