SCHEMBL774724

SCHEMBL774724

O=C(OCc1ccccc1)N1CCC[C@]1(C(=O)O)C(=O)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA2 P47869 1/20 0.41
NR4A2 P43354 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
GABRB1 P18505 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
SCHEMBL774723 0.88 NR4A2 (0.43) GABRA1GABRA3GABRB2NR4A2GABRB1
SCHEMBL707002 0.79 SIGMAR1 (0.43) NR4A2SIGMAR1
SCHEMBL707001 0.77 PREP (0.50) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL774660 0.77 PREP (0.50) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL6967342 0.77 PREP (0.50) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL16920143 0.76 NR4A2 (0.61) GABRA1GABRA3GABRB2NR4A2GABRB1
SCHEMBL6282802 0.75 NR4A2 (0.44) GABRA1GABRA3GABRB2GABRG2GABRB3
SCHEMBL6285597 0.74 NR4A2 (0.46) GABRA1GABRA3GABRB2NR4A2SIGMAR1
SCHEMBL29603146 0.74
SCHEMBL28017797 0.71 CYP2C19 (0.44)

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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF USV Limited B.S.D. Mar (IN) 2012-03-22 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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF HTR3C, SLC6A4, HTR3A GABRA1 3730/4885GABRA3 3058/4885GABRB2 3032/4885

“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.