SCHEMBL21189270

SCHEMBL21189270

CCOC(=O)c1cccc2c1CCC[C@@H]2N[S@@+]([O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.41
TAS1R1 Q7RTX1 7/20 0.41
TAS1R2 Q8TE23 5/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
HTR5A P47898 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CNR2 P34972 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL30644700 0.94 DRD2 (0.42) DRD2DRD4DRD3HTR5ATSHR
SCHEMBL26705413 0.94 DRD2 (0.42) DRD2DRD4DRD3HTR5ATSHR
SCHEMBL19973522 0.85 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL19973512 0.85 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL19973513 0.85 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL19508304 0.82 ALDH1A1 (0.41) DRD2DRD4DRD3HTR5ATSHR
SCHEMBL21300445 0.82 ALDH1A1 (0.41) DRD2DRD4DRD3HTR5ATSHR
SCHEMBL21189240 0.80 TSHR (0.37) TSHRALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL21189239 0.80 TSHR (0.37) TSHRALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL3583095 0.79 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2ALDH1A1CA1

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-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS TAS1R3 3760/4885TAS1R1 3802/4885TAS1R2 3995/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS TAS1R3 3760/4885TAS1R1 3802/4885TAS1R2 3995/4885

“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.