SCHEMBL12787697

SCHEMBL12787697

CCNC(=O)OCC(C(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
EPHX1 P07099 1/20 0.40
ALOX15 P16050 1/20 0.37
ACHE P22303 4/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PRKCA P17252 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
SCHEMBL12107388 0.83 SMN1; SMN2 (0.58) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL965401 0.83 SMN1; SMN2 (0.73) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15148251 0.82 CYP2C19 (0.45) SMN1; SMN2ALDH1A1KMT2AEPHX1ALOX15
SCHEMBL5247558 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13681838 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13224979 0.79 SMN1; SMN2 (0.59) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17807372 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5246205 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5244941 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21680862 0.77 SMN1; SMN2 (0.51) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4

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-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 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-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT SMN1; SMN2 3952/4885CHRNB2 576/4885CHRNB4 951/4885

“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.