SCHEMBL13965733

SCHEMBL13965733

CC(C)(C)CCN1CCC[C@@H]1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.50
ARG1 P05089 2/20 0.40
ARG2 P78540 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
FFAR1 O14842 7/20 0.37
DPP4 P27487 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL13965722 1.00 OPRD1 (0.50) OPRD1ARG1ARG2HRH3FFAR1
SCHEMBL13656349 0.80 SPHK2 (0.46) ARG1ARG2HRH3S1PR4S1PR1
SCHEMBL13656348 0.80 SPHK2 (0.46) ARG1ARG2HRH3S1PR4S1PR1
SCHEMBL8136699 0.80 SPHK2 (0.46) ARG1ARG2HRH3S1PR4S1PR1
SCHEMBL13974956 0.79 OPRD1 (0.69) OPRD1S1PR4S1PR1S1PR3S1PR5
SCHEMBL8136742 0.78 ATM (0.36) ARG1ARG2HRH3S1PR4S1PR1
SCHEMBL7021680 0.78 ALDH1A1 (0.53) OPRD1FFAR1
SCHEMBL13965718 0.77 LMNA (0.46) LTA4H
SCHEMBL13965721 0.77 LMNA (0.46) LTA4H
SCHEMBL12156772 0.77 LMNA (0.46) LTA4H

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-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS OPRD1 3096/4885ARG1 4545/4885ARG2 3149/4885

“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.