SCHEMBL13801340

SCHEMBL13801340

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.53
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CALCRL Q16602 10/20 0.39
ADRA2A P08913 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
ADRA1B P35368 1/20 0.38
P2RY14 Q15391 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TNKS O95271 1/20 0.38
HSD11B1 P28845 1/20 0.38
CCR5 P51681 1/20 0.37
KCNH2 Q12809 1/20 0.37
RAMP1 O60894 2/20 0.36

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
SCHEMBL13801373 0.88 DRD2 (0.45) CTSSDRD2DRD4DRD3CALCRL
SCHEMBL13801351 0.86 DRD2 (0.53) CTSSDRD2DRD4DRD3CALCRL
SCHEMBL13801338 0.86 DRD2 (0.49) CTSSDRD2DRD4DRD3CALCRL
SCHEMBL13801360 0.85 DRD2 (0.64) CTSSDRD2DRD4DRD3CALCRL
SCHEMBL13801273 0.85 DRD2 (0.67) CTSSDRD2DRD4DRD3CALCRL
SCHEMBL14417268 0.83 CTSS (0.52) CTSSDRD2DRD4DRD3DRD5
SCHEMBL14410193 0.82 CTSS (0.55) CTSSDRD2DRD4DRD3CALCRL
SCHEMBL13801334 0.82 DRD2 (0.51) CTSSDRD2DRD4DRD3CALCRL
SCHEMBL13801363 0.79 DRD2 (0.50) CTSSDRD2DRD4DRD3CALCRL
SCHEMBL13801361 0.79 DRD2 (0.50) CTSSDRD2DRD4DRD3CALCRL

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 CTSS 2562/4885DRD2 187/4885DRD4 139/4885

“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.