SCHEMBL3780593

SCHEMBL3780593

CCc1ccc(-c2cncc(OCC3(C(NC(=O)O)C(C)(C)C)CC3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CTPS1 P17812 4/20 0.36
XDH P47989 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
PTGS2 P35354 8/20 0.34
PIK3CG P48736 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
BACE1 P56817 1/20 0.33
KCNH2 Q12809 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 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
SCHEMBL3776413 0.89 CHRNB1 (0.40) CTPS1XDHPTGS2MKNK1MKNK2
SCHEMBL3775790 0.89 CHRNB1 (0.40) MAPTCTPS1XDHSLC22A12EGLN1
SCHEMBL3774460 0.89 CTSA (0.42) CTPS1XDHSLC22A12PTGS2BACE1
SCHEMBL3780251 0.87 XDH (0.46) XDHSLC22A12EGLN1KCNH2
SCHEMBL3770617 0.86 CHRNB1 (0.36) MAPTCTPS1
SCHEMBL3765822 0.85 XDH (0.40) XDHSLC22A12EGLN1
SCHEMBL3780621 0.84 AKT1 (0.33) CTPS1XDHSLC22A12PTGS2
SCHEMBL3765737 0.84 KDR (0.40)
SCHEMBL3778996 0.84 KDR (0.37) EGLN1PTGS2
SCHEMBL3774122 0.83 XDH (0.39) MAPTXDHSLC22A12EGLN1CDK8

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 MAPT 3996/4885CTPS1 2954/4885XDH 974/4885

“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.