SCHEMBL19174271

SCHEMBL19174271

CN1CCC[C@](C)(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
EHMT2 Q96KQ7 3/20 0.38
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL23168692 1.00 GRIN1 (0.40) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL16179443 0.86
SCHEMBL16532437 0.86
SCHEMBL16478702 0.86
SCHEMBL761946 0.77 GRIN1 (0.42) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL9197159 0.74 GRIN1 (0.40) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL23794163 0.74 GRIN1 (0.37) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL23869801 0.74 GRIN1 (0.37) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL23869808 0.74 GRIN1 (0.37) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL23794083 0.74 GRIN1 (0.37) GRIN1GRIN2ABRD4BRD2EHMT2

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-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 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-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA GRIN1 1319/4885GRIN2A 2033/4885BRD4 1974/4885

“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.