SCHEMBL12424927

SCHEMBL12424927

CCC1CCN(c2cccc(F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.64
NPY5R Q15761 1/20 0.43
MLYCD O95822 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR7 P34969 3/20 0.41
CDK1 P06493 1/20 0.41
GRM2 Q14416 1/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR6 P50406 2/20 0.40
C1S P09871 1/20 0.40

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
SCHEMBL28706080 0.84 BPTF (0.64) BPTFNPY5RMLYCDIDO1TDO2
SCHEMBL26172331 0.83 BPTF (0.43) BPTFNPY5RCDK1
SCHEMBL13035710 0.81 BPTF (0.56) BPTFNPY5RMLYCDIDO1TDO2
SCHEMBL12988198 0.81 BPTF (0.52) BPTFNPY5RMLYCDIDO1TDO2
SCHEMBL644789 0.80 BPTF (0.56) BPTFHTR2AHTR7HTR1ADRD2
SCHEMBL424881 0.79 CHRNA7 (0.55) DRD2
SCHEMBL20887191 0.79 BPTF (0.51) BPTFNPY5RMLYCDIDO1TDO2
SCHEMBL20699709 0.78 BPTF (0.54) BPTFMLYCDHTR7HTR1AC1S
SCHEMBL10373948 0.78 BPTF (0.54) BPTFMLYCDHTR7HTR1AC1S
SCHEMBL22657436 0.78 BPTF (0.56) BPTFNPY5RMLYCDIDO1TDO2

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 BPTF 1318/4885NPY5R 1325/4885MLYCD 1279/4885

“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.