SCHEMBL17127013

SCHEMBL17127013

CN1CCC([C@H]2CC2CO)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.35
GNAI3 P08754 3/20 0.35
GNAO1 P09471 3/20 0.35
GNAI1 P63096 3/20 0.35
GBA1 P04062 2/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL15706638 1.00 NCF1 (0.35) NCF1GNAI3GNAO1GNAI1GBA1
SCHEMBL17126989 1.00 NCF1 (0.35) NCF1GNAI3GNAO1GNAI1GBA1
SCHEMBL9909907 0.84 GNAI3 (0.33) NCF1GNAI3GNAO1GNAI1
SCHEMBL17126993 0.84 GNAI3 (0.33) NCF1GNAI3GNAO1GNAI1
SCHEMBL15490079 0.84 GNAI3 (0.33) NCF1GNAI3GNAO1GNAI1
SCHEMBL17127007 0.81 GNAI3 (0.40) NCF1GNAI3GNAO1GNAI1
SCHEMBL15490077 0.81 GNAI3 (0.40) NCF1GNAI3GNAO1GNAI1
SCHEMBL9909914 0.78 GNAI3 (0.42) NCF1GNAI3GNAO1GNAI1
SCHEMBL15490082 0.78 GNAI3 (0.42) NCF1GNAI3GNAO1GNAI1
SCHEMBL17126995 0.76 NCF1 (0.42) NCF1GNAI3GNAO1GNAI1

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-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 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-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GCGR, GPR139 NCF1 3873/4885GNAI3 229/4885GNAO1 206/4885

“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.