SCHEMBL5451611

SCHEMBL5451611

CC1(C(=O)O)CC(C(=O)O)N1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.52
GRM2 Q14416 5/20 0.44
ACE P12821 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
GAA P10253 1/20 0.41
AMPD2 Q01433 1/20 0.40
OPRK1 P41145 1/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GRM3 Q14832 2/20 0.39
AGTR2 P50052 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
SCHEMBL5550768 1.00 GRM6 (0.52) GRM6GRM2ACES1PR1S1PR5
SCHEMBL22443390 0.84 GRM6 (0.51) GRM6GRM2ACES1PR1S1PR5
SCHEMBL24832496 0.79 GRM6 (0.47) GRM6GRM2ACES1PR1S1PR5
SCHEMBL5965414 0.75 GRM6 (0.49) GRM6GRM2ACES1PR1S1PR5
SCHEMBL6128166 0.75 GRM6 (0.49) GRM6GRM2ACES1PR1S1PR5
SCHEMBL5965412 0.75 GRM6 (0.49) GRM6GRM2ACES1PR1S1PR5
SCHEMBL6647307 0.74 GRM6 (0.48) GRM6GRM2ACES1PR1S1PR5
SCHEMBL20799614 0.71 GRIN2B (0.50) S1PR1S1PR5GAA
SCHEMBL4710674 0.69 GRM6 (0.49) GRM6ACES1PR1S1PR5GAA
SCHEMBL6488253 0.69 GRM6 (0.56) GRM6ACES1PR1S1PR5ELANE

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-20070225492-A1 3,6-Diazabicyclo[3.1.1]Heptane Derivatives with Analgesic Activity UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2007-09-27 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-20070225492-A1 3,6-Diazabicyclo[3.1.1]Heptane Derivatives with Analgesic Activity OPRK1, OPRM1, OPRD1 GRM6 129/4885GRM2 285/4885ACE 919/4885

“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.