SCHEMBL10106644

SCHEMBL10106644

[C-]#[N+]c1ccc(Oc2ncnc(OC3C4CCCC3COC4)c2OC)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.41
LRRK2 Q5S007 2/20 0.33
KMO O15229 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL10106742 0.89 GPR119 (0.41) GPR119LRRK2KMOLMNA
SCHEMBL10106641 0.89 GPR119 (0.36) GPR119LRRK2
SCHEMBL10106470 0.89 GPR119 (0.47) GPR119KMOLMNA
SCHEMBL10106633 0.84 GPR119 (0.51) GPR119
SCHEMBL10106722 0.83 GPR119 (0.35) GPR119KMO
SCHEMBL10106676 0.81 GPR119 (0.62) GPR119
SCHEMBL10106740 0.80 GPR119 (0.39) GPR119
SCHEMBL10106294 0.77 GPR119 (0.41) GPR119LRRK2KMOLMNA
SCHEMBL10106765 0.77 GPR119 (0.40) GPR119
SCHEMBL10106639 0.76 GPR119 (0.51) GPR119

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R GPR119 1/4885LRRK2 446/4885KMO 901/4885

“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.