SCHEMBL24723812

SCHEMBL24723812

COc1ccc2c(c1)c(CC(=O)N(C)C)cn2C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.57
HTR6 P50406 2/20 0.54
AKR1C2 P52895 7/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
PTGS1 P23219 2/20 0.48
AKR1C4 P17516 1/20 0.48
MTNR1A P48039 1/20 0.48
PTGS2 P35354 1/20 0.44
AR P10275 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PLA2G2A P14555 2/20 0.43

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
SCHEMBL29992497 1.00 AKR1C3 (0.57) AKR1C3HTR6AKR1C2L3MBTL1PTGS1
SCHEMBL29992573 0.93 AKR1C3 (0.54) AKR1C3HTR6AKR1C2L3MBTL1PTGS1
SCHEMBL29992543 0.93 HTR6 (0.52) AKR1C3HTR6AKR1C2L3MBTL1PTGS1
SCHEMBL30777149 0.90 HTR6 (0.53) AKR1C3HTR6AKR1C2L3MBTL1PTGS1
SCHEMBL29992485 0.90 HTR6 (0.53) AKR1C3HTR6AKR1C2L3MBTL1PTGS1
SCHEMBL29993260 0.89 AKR1C3 (0.58) AKR1C3HTR6AKR1C2L3MBTL1PTGS1
SCHEMBL29992699 0.88 AKR1C3 (0.54) AKR1C3HTR6AKR1C2L3MBTL1PTGS1
SCHEMBL29992755 0.86 AKR1C3 (0.50) AKR1C3HTR6AKR1C2L3MBTL1PTGS1
SCHEMBL14304584 0.86 AKR1C3 (0.61) AKR1C3HTR6AKR1C2L3MBTL1PTGS1
SCHEMBL16727061 0.85 AKR1C3 (0.57) AKR1C3HTR6AKR1C2L3MBTL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254081-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2024-08-01 US disclosed
EP-4334285-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS Kare Chemical Technologies Inc. (CA) 2024-03-13 EP disclosed
CN-117597329-A Method for the catalytic synthesis of tryptamine and precursors thereof 凯尔化学科技公司 2024-02-23 CN disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 WO disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 WO 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-20240254081-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS HNMT, TPSB2, TPSG1 AKR1C3 1859/4885HTR6 45/4885AKR1C2 2156/4885

“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.