SCHEMBL19098395

SCHEMBL19098395

CN1CCC(CNCCCO)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
SAT1 P21673 1/20 0.40
NCF1 P14598 1/20 0.36
PARP1 P09874 1/20 0.34
CHRM3 P20309 2/20 0.32
NAMPT P43490 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HDAC1 Q13547 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL19098392 0.89 NCF1 (0.39) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL19780085 0.86 SAT1 (0.39) GNAI3GNAO1GNAI1SAT1
SCHEMBL19098397 0.84 GNAI3 (0.39) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL10864747 0.83 GNAI3 (0.50) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL19122646 0.81 GNAI3 (0.46) GNAI3GNAO1GNAI1SAT1CHRM3
SCHEMBL19098398 0.80 SAT1 (0.36) GNAI3GNAO1GNAI1SAT1
SCHEMBL19098394 0.79 NCF1 (0.38) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL19098396 0.76 CYP2C9 (0.35) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL12674143 0.76 NCF1 (0.41) GNAI3GNAO1GNAI1SAT1NCF1
SCHEMBL12778310 0.76 NCF1 (0.41) GNAI3GNAO1GNAI1SAT1NCF1

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.