SCHEMBL12424613

SCHEMBL12424613

CCC1CCCN(Cc2cocn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
SCN8A Q9UQD0 1/20 0.36
BCHE P06276 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 0.34
CYP2D6 P10635 1/20 0.34
TACR1 P25103 1/20 0.33
ADRA2B P18089 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
OGA O60502 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
SCHEMBL15014645 0.85 LMNA (0.55) LMNAJAK2JAK1TYK2JAK3
SCHEMBL12424466 0.82 JAK2 (0.42) SCN8AJAK2JAK1TYK2JAK3
SCHEMBL12385774 0.80 LMNA (0.40) LMNASCN8ANPSR1JAK2JAK1
SCHEMBL17916772 0.78 BCHE (0.40) LMNABCHENPSR1MEN1KMT2A
SCHEMBL17916773 0.78 BCHE (0.40) LMNABCHENPSR1MEN1KMT2A
SCHEMBL18933083 0.77 JAK2 (0.39) LMNASCN8AJAK2JAK1TYK2
SCHEMBL15014517 0.73 ALDH1A1 (0.49) LMNAJAK2JAK1TYK2JAK3
SCHEMBL12424319 0.72 CYP2D6 (0.45) LMNABCHENPSR1MEN1KMT2A
SCHEMBL12384431 0.70 SCN9A (0.43) SCN8AJAK2JAK1TYK2JAK3
SCHEMBL13597000 0.70 CYP1A2 (0.49) LMNABCHEMEN1KMT2ACYP2D6

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 LMNA 1043/4885SCN8A 4622/4885BCHE 2929/4885

“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.