SCHEMBL13481964

SCHEMBL13481964

C=C1Cc2c(ccc3c2OC(CNCc2ccccc2)CO3)N1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD4 P21917 3/20 0.52
DRD3 P35462 3/20 0.52
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39

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
Aplindore SCHEMBL3192098 0.87 DRD2 (0.68) DRD2DRD4DRD3ALDH1A1MEN1
Aplindore SCHEMBL119499 0.87 DRD2 (0.68) DRD2DRD4DRD3ALDH1A1MEN1
Aplindore SCHEMBL29359212 0.87 DRD2 (0.68) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957109 0.82 DRD2 (0.58) DRD2DRD4DRD3ALDH1A1MEN1
Aplindore SCHEMBL5954695 0.81 DRD2 (0.60) DRD2DRD4DRD3ALDH1A1MEN1
Aplindore SCHEMBL1231153 0.81 DRD2 (0.60) DRD2DRD4DRD3ALDH1A1MEN1
Aplindore SCHEMBL29470967 0.81 DRD2 (0.60) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957062 0.77 DRD2 (0.52) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957081 0.77 DRD2 (0.55) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957139 0.77 DRD2 (0.55) DRD2DRD4DRD3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662979-B2 cyanation; dopamine autoreceptor agonists and partial agonists at postsynaptic dopamine D2 receptor; for treating dopaminergic disorders such as schizophrenia, schizoaffective disorder, Parkinson's disease, Tourette's syndrome, hyperprolactinemia, and drug addiction WYETH (US) 2010-02-16 US disclosed
US-20070293686-A1 Oxindoledioxans, synthesis thereof, and intermediates thereto WYETH (US) 2007-12-20 US 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-20070293686-A1 Oxindoledioxans, synthesis thereof, and intermediates thereto HTR5A, OPRL1, SLC6A3 DRD2 7/4885DRD4 22/4885DRD3 10/4885

“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.