SCHEMBL3780599

SCHEMBL3780599

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.34
SLC22A12 Q96S37 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CTPS1 P17812 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PIK3CG P48736 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
AKT1 P31749 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 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
SCHEMBL3775795 0.89 CHRNB1 (0.41) XDHSLC22A12MKNK1MKNK2EGLN1
SCHEMBL3776422 0.89 CHRNB1 (0.41) XDHMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL3770622 0.86 CHRNB1 (0.36) MKNK1MKNK2CYP11B1CYP11B2CHRNB2
SCHEMBL3150649 0.85 XDH (0.37) XDHSLC22A12MKNK1MKNK2EGLN1
SCHEMBL3780631 0.84 CYP11B2 (0.33) XDHSLC22A12CYP11B1CYP11B2CHRNB2
SCHEMBL3765742 0.83 CYP11B1 (0.39) EGLN1CYP11B1CYP11B2
SCHEMBL3778998 0.83 CYP11B2 (0.36) EGLN1CYP11B2AKT1
SCHEMBL3774129 0.83 XDH (0.39) XDHSLC22A12MKNK2EGLN1CDK8
SCHEMBL3771523 0.82 NR1H4 (0.36)
SCHEMBL3779004 0.81 CHRNB1 (0.37) SLC22A12CHRNB2

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 XDH 974/4885SLC22A12 3272/4885MKNK1 4506/4885

“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.