SCHEMBL5451605

SCHEMBL5451605

COC(=O)[C@@H]1C[C@H](C(=O)O)N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.51
FKBP1A P62942 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.48
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9352245 1.00 CYP3A4 (0.54) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL5458626 1.00 CYP3A4 (0.54) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL9356129 0.95 CYP3A4 (0.57) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL8304218 0.95 CYP3A4 (0.57) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL8304211 0.95 CYP3A4 (0.57) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL8304214 0.95 CYP3A4 (0.57) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL23043376 0.88 FKBP1A (0.53) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL9347282 0.88 FKBP1A (0.53) CYP3A4KDM4EALDH1A1KMT2AMAPT
SCHEMBL9356296 0.87 CHRM2 (0.50) KMT2AL3MBTL1
SCHEMBL9352549 0.87 CHRM2 (0.50) KMT2AL3MBTL1

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 CYP3A4 148/4885KDM4E 3414/4885ALDH1A1 94/4885

“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.