SCHEMBL12424322

SCHEMBL12424322

CC1CCN(C(C)CC#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
HRH3 Q9Y5N1 2/20 0.35
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT1 Q99873 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
ACHE P22303 1/20 0.31
TLR8 Q9NR97 2/20 0.30
TLR7 Q9NYK1 2/20 0.30
TLR9 Q9NR96 1/20 0.30
KCNA3 P22001 1/20 0.30

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
SCHEMBL2385435 0.83
SCHEMBL12384443 0.82 HRH3 (0.37) HRH3TLR8TLR7TLR9
SCHEMBL13822254 0.82 HRH3 (0.34) HRH3TLR8TLR7TLR9
Hydrochloric Acid SCHEMBL2354930 0.81 HRH3 (0.33) HRH3
SCHEMBL1427315 0.77 CYP3A4 (0.44) ALDH1A1ACHE
SCHEMBL8285972 0.74 SIGMAR1 (0.44) SIGMAR1HRH3HSP90AA1MEN1ALDH1A1
SCHEMBL19860547 0.74 SIGMAR1 (0.44) SIGMAR1HRH3HSP90AA1MEN1ALDH1A1
SCHEMBL13822255 0.73 CYP3A4 (0.32)
SCHEMBL15014560 0.72 SIGMAR1 (0.42) SIGMAR1HSP90AA1MEN1ALDH1A1KMT2A
SCHEMBL31704439 0.72 SIGMAR1 (0.42) SIGMAR1HRH3HSP90AA1MEN1ALDH1A1

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 SIGMAR1 2272/4885HRH3 83/4885HSP90AA1 3489/4885

“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.