SCHEMBL13053337

SCHEMBL13053337

N[C@@]1(C(=O)O)CCC1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.45
GRM3 Q14832 4/20 0.45
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40

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
SCHEMBL16510392 0.82 GRM2 (0.41) GRM2GRM3DPP4ALDH1A1
SCHEMBL31603208 0.79 DPP4 (0.42) GRM2GRM3DPP4ALDH1A1OPRM1
SCHEMBL16510412 0.78 GRM2 (0.42) GRM2GRM3ALDH1A1
SCHEMBL30852824 0.78 TSHR (0.45) ALDH1A1
SCHEMBL13053320 0.76 OPRM1 (0.47) DPP4OPRM1OPRL1
SCHEMBL7926366 0.76 DPP4 (0.57) GRM2GRM3DPP4ALDH1A1OPRM1
SCHEMBL2399945 0.74 OPRM1 (0.40) GRM2GRM3DPP4ALDH1A1OPRM1
SCHEMBL8323846 0.74 TSHR (0.47) ALDH1A1
SCHEMBL24792755 0.73 OPRM1 (0.47) DPP4ALDH1A1OPRM1OPRL1
SCHEMBL24792758 0.73 OPRM1 (0.47) DPP4ALDH1A1OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7837982-B2 Imaging agents EMORY UNIVERSITY (US) 2010-11-23 US disclosed
US-20070082879-A1 Imaging Agents EMORY UNIVERSITY (US) 2007-04-12 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-20070082879-A1 Imaging Agents SLC7A1, SSTR1, SSTR3 GRM2 699/4885GRM3 237/4885DPP4 4518/4885

“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.