SCHEMBL12424948

SCHEMBL12424948

CCC1CCN(Cc2cc(C)no2)CC1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
PDE2A O00408 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
DRD3 P35462 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
VHL P40337 2/20 0.33
TMEM97 Q5BJF2 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL15014589 0.85 DRD2 (0.37) DRD2SIGMAR1PDE2ACHRNB2CHRNA3
SCHEMBL12384701 0.83 DRD2 (0.37) DRD2SIGMAR1PDE2ACHRNB2CHRNA3
SCHEMBL12424320 0.82 TLR9 (0.38) PDE1C
SCHEMBL12424346 0.76 ALDH1A1 (0.36) LMNAMEN1KMT2A
SCHEMBL12424609 0.75 DRD2 (0.36) DRD2DRD3
SCHEMBL12425960 0.75 DRD2 (0.36) DRD2DRD3
SCHEMBL785094 0.72 DRD2 (0.41) DRD2SIGMAR1CHRNB2CHRNA3CHRNB4
SCHEMBL31010287 0.70 HRH3 (0.54) DRD2SIGMAR1VHLLMNAMEN1
SCHEMBL12561242 0.69 SMN1; SMN2 (0.34)
SCHEMBL16508784 0.69 SMN1; SMN2 (0.34)

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 DRD2 3564/4885SIGMAR1 2272/4885PDE2A 3034/4885

“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.