SCHEMBL1486955

SCHEMBL1486955

c1ccc(-c2cc(C3CNCCO3)on2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DRD2 P14416 2/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 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
SCHEMBL8065806 0.75 POLB (0.50) DRD2HTR2ADRD3
SCHEMBL15402450 0.75 CHRNB2 (0.43) DRD2DRD3
SCHEMBL2210707 0.75 NPC1 (0.63) NPC1RAB9ADRD2DRD3
Hydrochloric Acid SCHEMBL917757 0.74 POLB (0.49) DRD2HTR2ADRD3
SCHEMBL27607725 0.74 KCNH2 (0.47) NPC1RAB9ADRD2HTR2A
SCHEMBL1626963 0.73 DRD2 (0.65) DRD2HTR2ADRD3
SCHEMBL4536932 0.73 DRD2 (0.65) DRD2HTR2ADRD3
SCHEMBL357358 0.73 DRD2 (0.65) DRD2HTR2ADRD3
SCHEMBL8538844 0.73 DRD2 (0.65) DRD2HTR2ADRD3
SCHEMBL27166460 0.72 DRD2 (0.39) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 NPC1 468/4885RAB9A 3174/4885DRD2 4352/4885

“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.