SCHEMBL13951993

SCHEMBL13951993

CCCN(CCC)CCc1cccc(N=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.59
▸ DRD3 P35462 6/20 0.59
▸ DRD1 P21728 2/20 0.59
▸ DRD4 P21917 2/20 0.59
▸ DRD5 P21918 2/20 0.59
▸ OPRM1 P35372 4/20 0.55
▸ OPRD1 P41143 4/20 0.55
▸ OPRK1 P41145 4/20 0.55
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ EBP Q15125 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
SCHEMBL11973935 0.83 GRIN2D (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL18403136 0.75 TDP1 (0.46) SIGMAR1
SCHEMBL11982706 0.75 SIGMAR1 (0.47) SIGMAR1
SCHEMBL11653919 0.75 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10555327 0.75 DRD2 (0.65) DRD2DRD3DRD1DRD4DRD5
SCHEMBL552965 0.73 DRD3 (0.71) DRD2DRD3DRD1DRD4DRD5
SCHEMBL11655881 0.72 AOC3 (0.64) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10553079 0.72 CYP2D6 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12641204 0.72 NOS1 (0.61) DRD2DRD1
SCHEMBL12094155 0.72 TDP1 (0.46) KDM4ESIGMAR1

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-20090043111-A1 Novel process for ropinirole preparation LIU MEIZHENG 2009-02-12 — — 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-20090043111-A1 Novel process for ropinirole preparation PAH, DRD4, DBH DRD2 15/4885DRD3 33/4885DRD1 12/4885

“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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