SCHEMBL3029056

SCHEMBL3029056

CCN(O)CCc1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.65
▸ DRD3 P35462 5/20 0.65
▸ DRD1 P21728 2/20 0.65
▸ DRD4 P21917 1/20 0.65
▸ DRD5 P21918 1/20 0.65
▸ OPRK1 P41145 13/20 0.59
▸ OPRM1 P35372 12/20 0.59
▸ OPRD1 P41143 12/20 0.59
▸ TAAR1 Q96RJ0 1/20 0.52
▸ CHRM2 P08172 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ CHRM3 P20309 1/20 0.51

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
SCHEMBL43344 0.79 DRD2 (0.66) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7075328 0.79 AOC3 (0.59) DRD2DRD3DRD1OPRK1OPRM1
SCHEMBL11653919 0.79 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22100445 0.78 DRD2 (0.59) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL4067518 0.78 DRD2 (0.64) DRD2DRD3DRD1DRD4DRD5
SCHEMBL18114808 0.77 OPRK1 (0.61) DRD2DRD3DRD1DRD4DRD5
SCHEMBL216654 0.77 DRD2 (0.67) DRD2DRD3DRD1DRD4DRD5
SCHEMBL29473925 0.77 DRD2 (0.67) DRD2DRD3DRD1DRD4DRD5
SCHEMBL18122716 0.76 OPRK1 (0.91) DRD2DRD3DRD1DRD4DRD5
SCHEMBL723832 0.76 DRD2 (0.74) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197799-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-08-05 — — US claimed

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-20100197799-A1 HYDROXYLAMINE DERIVATIVES C9, C1S, HTT DRD2 392/4885DRD3 245/4885DRD1 309/4885

“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.

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