SCHEMBL12424514

SCHEMBL12424514

Cc1nn(C)cc1CN1CCC(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
MAPK1 P28482 1/20 0.45
PARP14 Q460N5 1/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29220697 0.86 MAPK1 (0.44) ACHEMAPK1PARP14KMT2ATDP1
SCHEMBL12384829 0.83 ALDH1A1 (0.43) MAPK1PARP14KMT2ATDP1LMNA
SCHEMBL18390912 0.81 DRD4 (0.47) MAPK1PARP14KMT2ATDP1LMNA
SCHEMBL12424518 0.81 ACHE (0.49) ACHEMAPK1KMT2AHRH3TDP1
SCHEMBL26162998 0.79 KMT2A (0.44) MAPK1PARP14KMT2ATDP1LMNA
SCHEMBL18705082 0.76 KMT2A (0.43) MAPK1PARP14KMT2AHRH3TDP1
SCHEMBL23181991 0.75 TLR9 (0.43) ACHEMAPK1PARP14KMT2ATDP1
SCHEMBL29220696 0.71 HDAC3 (0.48) MAPK1KMT2ATDP1MEN1TSHR
SCHEMBL12384491 0.70 ACHE (0.54) ACHEHRH3DRD2DRD4DRD3
SCHEMBL3323487 0.69 ALDH1A1 (0.47) KMT2ADRD2DRD4DRD3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
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 ACHE 3858/4885MAPK1 2009/4885PARP14 858/4885

“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.