SCHEMBL4294638

SCHEMBL4294638

N[C@@H]1C[C@H](COCc2ccccc2)N(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.46
NR1D1 P20393 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ABHD6 Q9BV23 4/20 0.40
DAGLA Q9Y4D2 3/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
BDKRB2 P30411 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6978115 1.00 AGTR2 (0.46) AGTR2NR1D1OPRM1OPRD1OPRK1
SCHEMBL22555190 0.88 AGTR2 (0.46) AGTR2NR1D1OPRM1OPRD1OPRK1
SCHEMBL4297034 0.88 AGTR2 (0.46) AGTR2NR1D1OPRM1OPRD1OPRK1
SCHEMBL6975692 0.88 AGTR2 (0.46) AGTR2NR1D1OPRM1OPRD1OPRK1
SCHEMBL8063079 0.84 ABCB1 (0.43) AGTR2NR1D1OPRM1OPRD1OPRK1
SCHEMBL6978152 0.84 ABCB1 (0.43) AGTR2NR1D1OPRM1OPRD1OPRK1
SCHEMBL4298176 0.81 NR1D1 (0.40) NR1D1ABHD6DAGLA
SCHEMBL3950648 0.81 NR1D1 (0.40) NR1D1ABHD6DAGLA
SCHEMBL22555092 0.81 AGTR2 (0.48) AGTR2NR1D1OPRM1OPRD1OPRK1
SCHEMBL4303403 0.80 HPGD (0.41) OPRM1OPRD1ALDH1A1

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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF AGTR2 463/4885NR1D1 1663/4885OPRM1 2606/4885

“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.