SCHEMBL3780143

SCHEMBL3780143

CC(C)(C)N(CC1(COc2cncc(-c3cc(F)ccc3F)c2)CC1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.34
MAPT P10636 2/20 0.34
GSK3B P49841 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRIN2B Q13224 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
CTSA P10619 4/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNB3 Q05901 1/20 0.31

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
SCHEMBL3776417 0.89 CHRNB1 (0.41) GSK3BCYP11B1CYP11B2GRIN2BPDK1
SCHEMBL3778997 0.86 DGAT1 (0.36) GSK3BCYP11B1CYP11B2GRIN2BDYRK1A
SCHEMBL3779002 0.84 CHRNB1 (0.37) CYP11B2SLC22A12CLK1DYRK1ACHRNB1
SCHEMBL3775792 0.83 CHRNB1 (0.41) SLC22A12CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3780627 0.82 CYP11B2 (0.35) CYP11B1CYP11B2SLC22A12CHRNB1CHRNB2
SCHEMBL3774462 0.81 MAP4K4 (0.41) GSK3BCYP11B1CYP11B2SLC22A12DYRK1A
SCHEMBL3774126 0.80 CNR2 (0.41) MAPTGRIN2BSLC22A12
SCHEMBL3768294 0.80 CHRNB1 (0.43) CYP11B2GRIN2BDYRK1ACHRNB1CHRNB2
SCHEMBL3780596 0.80 CTPS1 (0.34) CYP11B1CYP11B2SLC22A12CHRNB1CHRNB2
SCHEMBL3151299 0.80 ABL1 (0.37) ABL1MAPTGSK3BCYP11B1CYP11B2

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 ABL1 1469/4885MAPT 3996/4885GSK3B 914/4885

“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.