SCHEMBL19865645

SCHEMBL19865645

CCCCCCCCN1CCN(CCCOC)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.57
GNAO1 P09471 6/20 0.57
GNAI1 P63096 6/20 0.57
HTR1A P08908 1/20 0.45
KDM4E B2RXH2 2/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MAPK1 P28482 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL19634480 0.92 GNAI3 (0.57) GNAI3GNAO1GNAI1HTR1AKDM4E
SCHEMBL21303867 0.92 GNAI3 (0.52) GNAI3GNAO1GNAI1HTR1AKDM4E
SCHEMBL21477161 0.92 GNAI3 (0.52) GNAI3GNAO1GNAI1HTR1AKDM4E
SCHEMBL23471206 0.92 GNAI3 (0.57) GNAI3GNAO1GNAI1HTR1AKDM4E
SCHEMBL21367100 0.91 GNAI3 (0.45) GNAI3GNAO1GNAI1HTR1AS1PR1
SCHEMBL793522 0.89 GNAI3 (0.53) GNAI3GNAO1GNAI1HTR1AKDM4E
SCHEMBL21303856 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL11570576 0.87 HRH3 (0.46) GNAI3GNAO1GNAI1ALDH1A1HRH3
SCHEMBL10927336 0.87 HRH3 (0.46) GNAI3GNAO1GNAI1ALDH1A1HRH3
SCHEMBL11569007 0.87 HRH3 (0.46) GNAI3GNAO1GNAI1ALDH1A1HRH3

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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A GNAI3 158/4885GNAO1 91/4885GNAI1 108/4885

“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.