SCHEMBL13801366

SCHEMBL13801366

O=CN1CCC(n2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.51
DRD2 P14416 16/20 0.51
DRD3 P35462 13/20 0.51
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
AKT3 Q9Y243 1/20 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
SCHEMBL13801341 0.86 DRD4 (0.68) DRD4DRD2DRD3
SCHEMBL3963976 0.83 DRD4 (0.47) DRD4DRD2DRD3
SCHEMBL3960274 0.76 GPR119 (0.49) DRD4DRD2DRD3OPRM1
SCHEMBL13801266 0.75 DRD4 (0.40) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL46402 0.74 CHRM1 (0.67) DRD2OPRM1OPRK1OPRL1
SCHEMBL13801273 0.72 DRD2 (0.67) DRD4DRD2DRD3AKT1
SCHEMBL13801259 0.72 SMN1; SMN2 (0.50) OPRM1OPRK1OPRL1
SCHEMBL13801339 0.71 CALCRL (0.46) DRD4DRD2DRD3
SCHEMBL13801258 0.70 TNKS (0.53) DRD2OPRM1OPRK1OPRL1
SCHEMBL14410182 0.70 DRD4 (0.68) DRD4DRD2DRD3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS DRD4 139/4885DRD2 187/4885DRD3 160/4885

“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.