SCHEMBL31046423

SCHEMBL31046423

C[C@H](NC[C@H](O)c1cccc2[nH]ncc12)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 6/20 0.55
▸ TRPV1 Q8NER1 5/20 0.39
▸ DHPS P49366 1/20 0.39
▸ AXL P30530 2/20 0.38
▸ NOS1 P29475 3/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL29236956 1.00 IDO1 (0.55) IDO1TRPV1DHPSAXLNOS1
SCHEMBL29236958 1.00 IDO1 (0.55) IDO1TRPV1DHPSAXLNOS1
SCHEMBL29236955 1.00 IDO1 (0.55) IDO1TRPV1DHPSAXLNOS1
SCHEMBL22864292 0.87 IDO1 (0.60) IDO1TRPV1AXLNOS1
SCHEMBL24630970 0.83 IDO1 (0.59) IDO1DHPSAXLNOS1
SCHEMBL24630927 0.81 IDO1 (0.59) IDO1TRPV1AXLNOS1JAK2
SCHEMBL22864071 0.80 IDO1 (0.55) IDO1TRPV1DHPSAXLNOS1
SCHEMBL24631034 0.75 IDO1 (0.59) IDO1TRPV1AXLNOS1
SCHEMBL24631021 0.75 IDO1 (0.55) IDO1TRPV1AXLNOS1JAK2
SCHEMBL23021781 0.75 IDO1 (0.60) IDO1TRPV1AXLNOS1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270701-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2024-08-15 — — 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-20240270701-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRB3 IDO1 2906/4885TRPV1 1735/4885DHPS 3940/4885

“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.

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