SCHEMBL19098397

SCHEMBL19098397

CN(C)CCCNCC1CCN(C)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SAT1 P21673 1/20 0.37
PAOX Q6QHF9 1/20 0.37
DPP7 Q9UHL4 2/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
SLC2A1 P11166 1/20 0.35
NCF1 P14598 1/20 0.33
HTR4 Q13639 1/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL19098396 0.90 CYP2C9 (0.35) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL19098395 0.84 GNAI3 (0.42) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL19098712 0.83 GNAI3 (0.43) GNAI3GNAO1GNAI1TDP1SAT1
SCHEMBL19083193 0.81 TDP1 (0.35) GNAI3GNAO1GNAI1TDP1SAT1
SCHEMBL19098392 0.80 NCF1 (0.39) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL10864747 0.79 GNAI3 (0.50) GNAI3GNAO1GNAI1TDP1SAT1
SCHEMBL8036569 0.75 SIGMAR1 (0.53) GNAI3GNAO1GNAI1TDP1SAT1
SCHEMBL19098394 0.75 NCF1 (0.38) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL20159608 0.75 KEAP1 (0.53) PAOXLMNAKDM4E
SCHEMBL9478831 0.75 LMNA (0.48) GNAI3GNAO1GNAI1KMT2ASMN1; SMN2

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
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 GNAI3 261/4885GNAO1 1468/4885GNAI1 281/4885

“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.