SCHEMBL23907239

SCHEMBL23907239

CNC(=O)c1cnn(CC(=CF)COC(=O)NC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.36
MAOB P27338 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
GAA P10253 1/20 0.33
ACHE P22303 2/20 0.32
LMNA P02545 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KLKB1 P03952 1/20 0.30
ROCK1 Q13464 1/20 0.30
POLB P06746 1/20 0.30
PDK2 Q15119 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL28432376 0.84 KLKB1 (0.34) AOC3MAOBCCNCCDK8ACHE
SCHEMBL28432378 0.84 KLKB1 (0.34) AOC3MAOBCCNCCDK8ACHE
SCHEMBL28894427 0.84 AOC3 (0.44) AOC3MAOBGAAACHELMNA
SCHEMBL28894423 0.84 AOC3 (0.44) AOC3MAOBGAAACHELMNA
SCHEMBL22216435 0.81 L3MBTL1 (0.39) CCNCCDK8ACHELMNACYP2C19
SCHEMBL22216190 0.79 AOC3 (0.42) AOC3MAOBACHELMNACYP2C19
SCHEMBL22216189 0.79 AOC3 (0.40) AOC3MAOBACHELMNACYP2C19
SCHEMBL28433237 0.79 SCD (0.34) CCNCCDK8ACHELMNACYP2C19
SCHEMBL22216335 0.78 KLKB1 (0.37) AOC3MAOBCCNCCDK8ACHE
SCHEMBL22216397 0.78 AOC3 (0.51) AOC3MAOBACHELMNACYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371432-B2 Haloallylamine compounds and application thereof TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-07-29 US disclosed
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TransThera Sciences (Nanjing), Inc (CN) 2022-03-17 US disclosed
EP-3892621-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-10-13 EP 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-12371432-B2 Haloallylamine compounds and application thereof ADRA1D, ADRA1A, VAPA AOC3 43/4885MAOB 886/4885CCNC 4444/4885
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF ADRA1D, ADRA1A, VAPA AOC3 43/4885MAOB 886/4885CCNC 4444/4885

“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.