SCHEMBL7128100

SCHEMBL7128100

CC(C(=O)O)C1CCC[N]C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRR1 P24046 2/20 0.35
GABRA4 P48169 1/20 0.35
ACE P12821 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6050175 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL417582 0.77 ACE (0.43) GABRA1GABRA5GABRB2GABRR1GABRA4
SCHEMBL22401388 0.77
SCHEMBL9307 0.77 ACE (0.43) GABRA1GABRA5GABRB2GABRR1GABRA4
SCHEMBL1931826 0.77
SCHEMBL17628753 0.77 ACE (0.43) GABRA1GABRA5GABRB2GABRR1GABRA4
SCHEMBL1032593 0.75
SCHEMBL3563960 0.75 GABRA1 (0.39) GABRA1GABRA5GABRB2GABRR1GABRA4
SCHEMBL1595664 0.74 EPHX1 (0.44) GABRA1GABRA5GABRB2GABRR1GABRA4
SCHEMBL1547787 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US claimed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US claimed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO claimed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US disclosed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US disclosed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO 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-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 GABRA1 243/4885GABRA5 407/4885GABRB2 115/4885

“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.