SCHEMBL12424465

SCHEMBL12424465

CCC1CCN(Cc2cnccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
IKZF2 Q9UKS7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ACKR3 P25106 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 2/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM4 P08173 1/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35

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
SCHEMBL803082 0.85 SCN9A (0.40) SCN9AWNT1GSK3BDYRK1AKDM4E
SCHEMBL15014498 0.84 ALDH1A1 (0.49) SCN9AWNT1GSK3BDYRK1AKDM4E
SCHEMBL17289014 0.81 TNKS (0.46) SCN9AWNT1GSK3BDYRK1AKDM4E
SCHEMBL22432752 0.81 SCN9A (0.42) SCN9AWNT1GSK3BDYRK1AKDM4E
SCHEMBL12384434 0.80 SCN9A (0.43) SCN9AWNT1GSK3BDYRK1ATNKS
SCHEMBL22432726 0.80 SCN9A (0.47) SCN9AWNT1GSK3BDYRK1AKDM4E
SCHEMBL4623341 0.80 WNT1 (0.42) SCN9AWNT1GSK3BDYRK1ATNKS
SCHEMBL803402 0.80 TNKS (0.36) SCN9AWNT1GSK3BDYRK1AKDM4E
Hydrochloric Acid SCHEMBL4883824 0.79 WNT1 (0.41) SCN9AWNT1GSK3BDYRK1ATNKS
SCHEMBL13512585 0.78 KDM4E (0.61) KDM4ESMN1; SMN2L3MBTL1CYP2D6POLB

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 SCN9A 4696/4885WNT1 931/4885GSK3B 1745/4885

“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.