SCHEMBL3779000

SCHEMBL3779000

CC(C)(C)C(NC(=O)O)C1(COc2cncc(-c3cc(Cl)ccc3Cl)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
INPPL1 O15357 4/20 0.36
CTSA P10619 4/20 0.35
PTGES O14684 1/20 0.33
PKM P14618 1/20 0.33
BDKRB1 P46663 3/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
MMEL1 Q495T6 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CTPS1 P17812 1/20 0.32

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
SCHEMBL3775790 0.90 CHRNB1 (0.40) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3774122 0.87 XDH (0.39) SHMT1INPPL1CTSA
SCHEMBL3780621 0.87 AKT1 (0.33) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3771510 0.86 CTSA (0.36) CTSABDKRB1
SCHEMBL3780142 0.84 MAPT (0.37) CTSA
SCHEMBL3776413 0.82 CHRNB1 (0.40) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3774460 0.82 CTSA (0.42) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3776531 0.81 MAP4K4 (0.37) CHRNB4CHRNA3CTSA
SCHEMBL3780593 0.81 MAPT (0.36) CTPS1
SCHEMBL3765822 0.81 XDH (0.40) CHRNB2

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 SHMT1 2031/4885CHRNB1 7/4885CHRNB2 18/4885

“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.