SCHEMBL27199855

SCHEMBL27199855

c1cncc(C2CCCN2CCCN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 7/20 0.53
CHRNA7 P36544 3/20 0.53
CHRNB2 P17787 3/20 0.53
CHRNA4 P43681 3/20 0.53
CHRNB4 P30926 2/20 0.53
CHRNA3 P32297 2/20 0.53
CHRNA2 Q15822 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.53
HTR3E A5X5Y0 1/20 0.53
PSIP1 O75475 1/20 0.53
TRPA1 O75762 1/20 0.53
HTR3B O95264 1/20 0.53
CHRNA1 P02708 1/20 0.53
CHRNG P07510 1/20 0.53
MAPT P10636 1/20 0.53
CHRNB1 P11230 1/20 0.53
CYP2A6 P11509 1/20 0.53

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
SCHEMBL27199848 1.00 SLC6A4 (0.54) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2
SCHEMBL30866545 1.00 SLC6A4 (0.54) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2
SCHEMBL9674105 0.94 ALDH1A1 (0.57) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2
SCHEMBL30866563 0.94 ALDH1A1 (0.57) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2
SCHEMBL9674112 0.94 ALDH1A1 (0.57) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2
SCHEMBL9674102 0.94 ALDH1A1 (0.57) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2
SCHEMBL30866556 0.90 ALDH1A1 (0.58) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2
SCHEMBL27199835 0.90 ALDH1A1 (0.58) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2
SCHEMBL31019624 0.90 ALDH1A1 (0.58) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2
SCHEMBL27199838 0.90 ALDH1A1 (0.58) SLC6A4HRH3ALDH1A1CHRNA7CHRNB2

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
US-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2024-04-23 US claimed
US-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2024-04-23 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-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof SRM, SCLY, SMOX SLC6A4 211/4885HRH3 126/4885ALDH1A1 842/4885

“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.