SCHEMBL12424319

SCHEMBL12424319

CCC1CCCN(Cc2ncco2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.45
HRH1 P35367 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
GLP1R P43220 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL12518832 0.83 CYP2D6 (0.47) CYP2D6HRH1KDM4ELMNAALDH1A1
SCHEMBL12425856 0.82 FAAH (0.43) WNT1GSK3BDYRK1ATLR9TLR8
SCHEMBL12384413 0.81 CYP2D6 (0.45) CYP2D6HRH1MEN1KMT2ANPSR1
SCHEMBL18933182 0.77 CYP2D6 (0.44) CYP2D6HRH1MEN1KMT2AWNT1
SCHEMBL3070225 0.77 CYP2D6 (0.41) CYP2D6HRH1KMT2ARAB9APOLB
SCHEMBL3076356 0.75 HRH3 (0.42) CYP2D6HRH1KMT2AKDM4ERAB9A
SCHEMBL15014476 0.73 ALDH1A1 (0.49) RAB9AALDH1A1WNT1GSK3BDYRK1A
SCHEMBL13597000 0.72 CYP1A2 (0.49) CYP2D6MEN1KMT2AKDM4ERAB9A
SCHEMBL12424613 0.72 LMNA (0.41) CYP2D6MEN1KMT2ANPSR1KDM4E
SCHEMBL12424984 0.72 KAT2B (0.50) MEN1KMT2ANPSR1KDM4ELMNA

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 CYP2D6 274/4885HRH1 103/4885MEN1 298/4885

“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.