SCHEMBL29798486

SCHEMBL29798486

COc1ccc2c(c1)CCNS2(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
HTR2C P28335 2/20 0.43
GRIA2 P42262 4/20 0.42
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
CA2 P00918 4/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
CA5A P35218 1/20 0.41
RYR2 Q92736 1/20 0.40
BCL2 P10415 1/20 0.40
CA14 Q9ULX7 1/20 0.39
PDE3B Q13370 1/20 0.39

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
SCHEMBL22713834 1.00 AOC3 (0.53) AOC3HTR2CGRIA2DRD2DRD1
SCHEMBL5184891 0.87 GRIA2 (0.45) AOC3HTR2CGRIA2DRD2DRD1
SCHEMBL30422601 0.83 GRIA2 (0.47) HTR2CGRIA2DRD2DRD1DRD5
SCHEMBL21084436 0.83 GRIA2 (0.47) HTR2CGRIA2DRD2DRD1DRD5
SCHEMBL25904264 0.81 AOC3 (0.57) AOC3CA2CA1CA7CA9
SCHEMBL21266522 0.78 CA1 (0.49) AOC3GRIA2CA2CA1CA7
SCHEMBL30485944 0.78 CA1 (0.49) AOC3GRIA2CA2CA1CA7
SCHEMBL25317219 0.78 AOC3 (0.60) AOC3CA2CA1CA9CA12
SCHEMBL30485982 0.78 AOC3 (0.51) AOC3HTR2CDRD2DRD3CA2
SCHEMBL28672464 0.78 AOC3 (0.51) AOC3HTR2CDRD2DRD3CA2

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
CN-113912597-B ROR gamma inhibitor, preparation method and medical application thereof 赛诺哈勃药业(成都)有限公司 2023-06-13 CN disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 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-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 AOC3 6/4885HTR2C 2581/4885GRIA2 1899/4885

“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.