SCHEMBL13801360

SCHEMBL13801360

O=CN1CCC(n2cc(-c3ccc(-c4ccccc4)cc3)[nH]c2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.64
DRD4 P21917 2/20 0.64
DRD3 P35462 2/20 0.64
CALCRL Q16602 12/20 0.48
TNKS O95271 1/20 0.46
CCR5 P51681 1/20 0.46
KCNH2 Q12809 1/20 0.46
RAMP1 O60894 2/20 0.44
AKT1 P31749 1/20 0.42
CTSS P25774 1/20 0.39
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35

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
SCHEMBL13801273 0.97 DRD2 (0.67) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL13801351 0.88 DRD2 (0.53) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL13801334 0.86 DRD2 (0.51) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL13801340 0.85 CTSS (0.53) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL13801361 0.85 DRD2 (0.50) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL13801347 0.84 DRD2 (0.52) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL13801372 0.84 DRD2 (0.52) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL13801364 0.84 DRD2 (0.55) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL13801363 0.83 DRD2 (0.50) DRD2DRD4DRD3CALCRLTNKS
SCHEMBL3962522 0.82 DRD2 (0.61) DRD2DRD4DRD3CALCRLTNKS

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 DRD2 187/4885DRD4 139/4885DRD3 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.