SCHEMBL3779583

SCHEMBL3779583

CC(C)(C)N(CC1(COc2cnc(F)c(-c3cccnc3)c2)CC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ABL1 P00519 3/20 0.34
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
TNKS O95271 1/20 0.33
P4HTM Q9NXG6 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
SCHEMBL3779566 0.91 CYP4F2 (0.32) AKR1C3AKR1C2
SCHEMBL3778433 0.89 ABL1 (0.39) PDK2ALDH1A1LMNASMN1; SMN2ABL1
SCHEMBL3771949 0.87 CNR2 (0.37)
SCHEMBL3767791 0.87 FFAR4 (0.33)
SCHEMBL3781401 0.86 FFAR4 (0.34)
SCHEMBL3780101 0.86 MAP4K4 (0.36)
SCHEMBL3768530 0.86 SLC22A12 (0.38)
SCHEMBL3779591 0.84 EGLN1 (0.38)
SCHEMBL3782751 0.81 FFAR4 (0.41) PDK2
SCHEMBL3778997 0.80 DGAT1 (0.36) CYP11B2CYP11B1GSK3BDYRK1A

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 PDK2 2514/4885ALDH1A1 1255/4885LMNA 3713/4885

“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.