SCHEMBL25199502

SCHEMBL25199502

COc1ccnc(CNC(=O)CC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 7/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F2 P00734 1/20 0.43
HPGDS O60760 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RIOK2 Q9BVS4 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL17801972 0.87 NOS3 (0.51) WDR5NOS3NOS1NOS2KMT2A
SCHEMBL7230462 0.79 NOS1 (0.56) NOS3NOS1NOS2SMN1; SMN2CYP1A2
SCHEMBL31570649 0.75 NOS2 (0.59) WDR5NOS3NOS1NOS2ALDH1A1
SCHEMBL15709975 0.74 NOS3 (0.54) NOS3NOS1NOS2KMT2AMEN1
SCHEMBL10669530 0.74 SMN1; SMN2 (0.67) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9814691 0.73 NOS1 (0.53) NOS3NOS1NOS2NPSR1F2
SCHEMBL21355854 0.73 NOS2 (0.53) WDR5NOS3NOS1NOS2
SCHEMBL29209631 0.72 APLNR (0.59) KMT2AMEN1NPSR1ALDH1A1HTT
SCHEMBL21711856 0.72 WDR5 (0.72) WDR5KMT2AMEN1HPGDS
SCHEMBL5902331 0.72 NPC1 (0.65) KMT2AMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138948-A1 N-SUBSTITUTED INDOLES AS 5-HYDROXYTRYPTAMINE (5-HT) SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS TERRAN BIOSCIENCES INC (US) 2026-05-21 US disclosed
US-20260078090-A1 N-SUBSTITUTED INDOLES AS 5-HYDROXYTRYPTAMINE (5-HT) SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS TERRAN BIOSCIENCES INC. 2026-03-19 US disclosed
EP-4423060-A2 PSYCHOPLASTOGENIC N-SUBSTITUTED INDOLES Terran Biosciences, Inc. (US) 2024-09-04 EP disclosed
US-20230159456-A1 N-SUBSTITUTED INDOLES TERRAN BIOSCIENCES INC (US) 2023-05-25 US disclosed
US-20230159456-A1 N-SUBSTITUTED INDOLES TERRAN BIOSCIENCES INC (US) 2023-05-25 US disclosed
US-20230159456-A1 N-SUBSTITUTED INDOLES TERRAN BIOSCIENCES INC (US) 2023-05-25 US disclosed
WO-2023077127-A2 N-SUBSTITUTED INDOLES TERRAN BIOSCIENCES, INC. (US) 2023-05-04 WO disclosed
WO-2023077127-A2 N-SUBSTITUTED INDOLES TERRAN BIOSCIENCES, INC. (US) 2023-05-04 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 (3 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-20260078090-A1 N-SUBSTITUTED INDOLES AS 5-HYDROXYTRYPTAMINE (5-HT) SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS HTR1D, TPH1, HTR3D WDR5 3388/4885NOS3 112/4885NOS1 216/4885
US-20260138948-A1 N-SUBSTITUTED INDOLES AS 5-HYDROXYTRYPTAMINE (5-HT) SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS HTR1D, HTR2C, TPH1 WDR5 3685/4885NOS3 134/4885NOS1 305/4885
US-20230159456-A1 N-SUBSTITUTED INDOLES TPH2, TPH1, AANAT WDR5 2661/4885NOS3 560/4885NOS1 788/4885

“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.