SCHEMBL10202928

SCHEMBL10202928

CB(O)N1C[C@H](C(=O)O)[C@@H](C)C[C@@H]1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.30
▸ CHRNB2 P17787 4/20 0.30
▸ CHRNA3 P32297 4/20 0.30
▸ CHRNA4 P43681 4/20 0.30
▸ CHRNB3 Q05901 4/20 0.30
▸ CHRNA6 Q15825 4/20 0.30

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
SCHEMBL14651113 0.76 ALDH1A1 (0.32) —
SCHEMBL10202903 0.71 — —
SCHEMBL10202926 0.71 — —
SCHEMBL10202914 0.71 — —
SCHEMBL12050301 0.71 — —
SCHEMBL15760350 0.70 — —
SCHEMBL10202916 0.69 — —
SCHEMBL10202913 0.67 — —
SCHEMBL10441953 0.66 GABRR1 (0.48) GABRR1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL7722913 0.66 GABRR1 (0.48) GABRR1CHRNB2CHRNA3CHRNA4CHRNB3

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 — — 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 GABRR1 923/4885CHRNB2 4697/4885CHRNA3 4627/4885

“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.

Send feedback