SCHEMBL3772252

SCHEMBL3772252

CC(C)(C)C(NC(=O)O)C1(COc2cncc(-c3cccc(C#N)c3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.41
SGK1 O00141 1/20 0.38
CYP11B2 P19099 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
ABL1 P00519 1/20 0.37
CTSA P10619 2/20 0.37
SLC22A12 Q96S37 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
XDH P47989 1/20 0.36
ADAMTS4 O75173 1/20 0.35
NEK1 Q96PY6 1/20 0.35
CNR2 P34972 1/20 0.35
BACE1 P56817 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3780251 0.90 XDH (0.46) EGLN1CYP11B2SLC22A12XDHKCNH2
SCHEMBL3765822 0.88 XDH (0.40) EGLN1SLC22A12XDH
SCHEMBL3778996 0.87 KDR (0.37) EGLN1CTSAGABRA5CNR2
SCHEMBL3765737 0.87 KDR (0.40) CYP11B2CTSABRD4CNR2
SCHEMBL3770731 0.87 SLC22A12 (0.38) EGLN1SGK1HRH2HRH1CTSA
SCHEMBL3774122 0.86 XDH (0.39) EGLN1CTSASLC22A12XDHCNR2
SCHEMBL3768528 0.86 SLC22A12 (0.37) EGLN1SGK1HRH2HRH1CTSA
SCHEMBL3780461 0.84 AKT1 (0.46) CYP11B2
SCHEMBL3771012 0.83 CHRNB1 (0.47)
SCHEMBL3771008 0.83 CHRNB1 (0.47)

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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG EGLN1 3487/4885SGK1 4404/4885CYP11B2 804/4885

“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.