SCHEMBL6357142

SCHEMBL6357142

[O-][N+]1(c2cccnc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.41
CHRNA4 P43681 6/20 0.41
ALDH1A1 P00352 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL3781336 0.90 CHRNB2 (0.36) CHRNB2CHRNA4ALDH1A1MKNK1MKNK2
SCHEMBL5392162 0.77 ORAI1 (0.38)
SCHEMBL11000922 0.68 HTR2C (0.42) ALDH1A1CYP1A2CYP3A4
SCHEMBL3788330 0.67 CHRNB2 (0.33) CHRNB2CHRNA4ALDH1A1CYP1A2CYP3A4
SCHEMBL655078 0.66 HTR3A (0.39) CYP2A6
Piperazine SCHEMBL28287836 0.63 CHRNB2 (0.46) CHRNB2CHRNA4ALDH1A1NISCHCYP1A2
Piperazine SCHEMBL28208205 0.63 MEN1 (0.47) CHRNB2CHRNA4ALDH1A1MKNK1MKNK2
3-Methylpyridine SCHEMBL27313811 0.63 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1NISCHCYP1A2
Piperazine SCHEMBL4431711 0.63 CHRNB2 (0.46) CHRNB2CHRNA4ALDH1A1NISCHCYP1A2
SCHEMBL3538787 0.63 CHRNB2 (0.87) CHRNB2CHRNA4ALDH1A1CHRNA7

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-20050261285-A1 Tetrahydropyran derivatives and their use as therapeutic agents DIRAT OLIVIER 2005-11-24 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-20050261285-A1 Tetrahydropyran derivatives and their use as therapeutic agents GRPR, GRM5, GRM6 CHRNB2 2038/4885CHRNA4 912/4885ALDH1A1 1626/4885

“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.