SCHEMBL3774460

SCHEMBL3774460

COc1ccc(-c2cncc(OCC3(C(NC(=O)O)C(C)(C)C)CC3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
ALOX5AP P20292 1/20 0.38
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
BACE1 P56817 1/20 0.37
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
CTPS1 P17812 1/20 0.37
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL3765737 0.90 KDR (0.40) CTSACYP11B1CYP11B2ALOX5APGSK3B
SCHEMBL3776413 0.90 CHRNB1 (0.40) MKNK1MKNK2CHRNB1CHRNB2CHRNB4
SCHEMBL3775790 0.90 CHRNB1 (0.40) MAP4K4CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3780593 0.89 MAPT (0.36) MKNK1MKNK2BACE1CTPS1XDH
SCHEMBL3780251 0.88 XDH (0.46) MAP4K4CYP11B1CYP11B2KDM1AHDAC1
SCHEMBL3770617 0.87 CHRNB1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3765822 0.85 XDH (0.40) CHRNB2ALOX5APXDHSLC22A12WNT3A
SCHEMBL3780621 0.85 AKT1 (0.33) CTSACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3778996 0.85 KDR (0.37) CTSAGSK3BDYRK1AWNT3APTGS2
SCHEMBL3771875 0.84 FFAR4 (0.38) CTSACHRNB4CHRNA3CYP1A2CYP2C9

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 CTSA 4444/4885MKNK1 4506/4885MKNK2 4199/4885

“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.