SCHEMBL24412224

SCHEMBL24412224

C=Nc1c(/C(=C\C)C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
ALOX12 P18054 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL361328 0.78 CA2 (0.48) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL24246848 0.71 ALOX12 (0.40) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL11351266 0.71 GABRA1 (0.50) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL26846725 0.69 CA2 (0.37) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL18389205 0.68 CA2 (0.39) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL20954046 0.66 CA2 (0.44) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL20211348 0.66 CA2 (0.44) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL242955 0.64 CA2 (0.46) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL242956 0.64 CA2 (0.46) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL961149 0.64 CA2 (0.46) CA2ALOX12GABRA1GABRB2ALDH1A1

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-11840517-B2 Lappaconitine derivative with analgesic activity, and preparation and application thereof SOUTHWEST JIAOTONG UNIVERSITY (CN) 2023-12-12 US disclosed
US-20220144779-A1 LAPPACONITINE DERIVATIVE WITH ANALGESIC ACTIVITY, AND PREPARATION AND APPLICATION THEREOF SOUTHWEST JIAOTONG UNIVERSITY (CN) 2022-05-12 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 (2 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-11840517-B2 Lappaconitine derivative with analgesic activity, and preparation and application thereof LPXN, ACHE, OPRL1 CA2 1256/4885ALOX12 1862/4885GABRA1 1331/4885
US-20220144779-A1 LAPPACONITINE DERIVATIVE WITH ANALGESIC ACTIVITY, AND PREPARATION AND APPLICATION THEREOF LPXN, ACHE, OPRL1 CA2 1256/4885ALOX12 1862/4885GABRA1 1331/4885

“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.