SCHEMBL22432101

SCHEMBL22432101

CC(C1CCN(C)CC1)C1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.40
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
HRH3 Q9Y5N1 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HTR2A P28223 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
SCHEMBL14431941 0.85 NCF1 (0.34) NCF1
SCHEMBL105239 0.82 NCF1 (0.40) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL14098626 0.78 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL12563449 0.78 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL8283376 0.78 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL24169991 0.78 NCF1 (0.42) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL2544584 0.78 NCF1 (0.42) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL21567148 0.78 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL24169951 0.78 NCF1 (0.42) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL4921739 0.78 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1HRH3

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-20200291177-A1 DIOL COMPOSITION AND POLYESTER TORAY INDUSTRIES, INC. (JP) 2020-09-17 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-20200291177-A1 DIOL COMPOSITION AND POLYESTER DEGS1, DHCR24, ADH1C NCF1 4605/4885GNAI3 891/4885GNAO1 1323/4885

“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.