SCHEMBL18538092

SCHEMBL18538092

CCC(=O)c1cn(C)c2ncc(C)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SPR P35270 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ BRD4 O60885 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
SCHEMBL18527091 0.81 AGBL2 (0.42) NTRK1KMT2AMEN1CHRNA7PKM
SCHEMBL18538093 0.77 PDE2A (0.34) NTRK1MTNR1ACHRNA7SPRPTGDR2
SCHEMBL12616365 0.76 ADRA2A (0.33) NTRK1KMT2AMEN1LMNASPR
SCHEMBL17145183 0.72 PKMYT1 (0.37) NTRK1CHRNA7SPR
SCHEMBL4403649 0.72 NOS3 (0.38) MTNR1ACHRNA7BRD4
SCHEMBL20413789 0.72 MTNR1A (0.41) NTRK1MTNR1ACHRNA7PTGDR2BRD4
SCHEMBL20413788 0.70 ALDH1A1 (0.42) KMT2AMEN1MTNR1ALMNABRD4
SCHEMBL18359212 0.69 LRRK2 (0.38) KMT2AMEN1CHRNA7LMNABRD4
SCHEMBL17211632 0.69 BRD4 (0.55) MTNR1ABRD4
SCHEMBL31370721 0.69 BRD4 (0.35) MTNR1ABRD4

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-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 — — 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-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC NTRK1 1009/4885KMT2A 3358/4885MEN1 3681/4885

“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.

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