SCHEMBL3779585

SCHEMBL3779585

CC(C)(C)CN(C(=O)O)C1(COc2cnc(F)c(-c3cccnc3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.36
CYP11B2 P19099 6/20 0.36
PDK2 Q15119 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
TNKS O95271 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL3779567 0.91 FFAR4 (0.32) CYP11B1CYP11B2THRATHRB
SCHEMBL3151304 0.85 CYP11B1 (0.39) CYP11B1CYP11B2PDK2GSK3BDYRK1A
SCHEMBL7605150 0.83 CHRNB2 (0.39)
SCHEMBL3782752 0.81 FFAR4 (0.41) THRATHRB
SCHEMBL3778998 0.80 CYP11B2 (0.36) CYP11B2GSK3BDYRK1ASMN1; SMN2
SCHEMBL3779583 0.80 PDK2 (0.35) CYP11B1CYP11B2PDK2GSK3BDYRK1A
SCHEMBL3777923 0.79 THRA (0.36) THRATHRB
SCHEMBL3776422 0.79 CHRNB1 (0.41) CYP11B1CYP11B2PDK2GSK3BDYRK1A
SCHEMBL3780145 0.78 MAPT (0.34) CYP11B1CYP11B2GSK3B
SCHEMBL3765742 0.77 CYP11B1 (0.39) CYP11B1CYP11B2LMNA

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 CYP11B1 931/4885CYP11B2 804/4885PDK2 2514/4885

“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.