SCHEMBL6630846

SCHEMBL6630846

COc1ccc2c(c1)C(=O)C(N)CC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
CYP19A1 P11511 1/20 0.55
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
METAP1 P53582 2/20 0.48
KYAT1 Q16773 1/20 0.46
KYAT3 Q6YP21 1/20 0.46
AADAT Q8N5Z0 1/20 0.46
TYMS P04818 1/20 0.44
MAOB P27338 1/20 0.44
CYP24A1 Q07973 2/20 0.43
CYP26A1 O43174 1/20 0.43
CYP27A1 Q02318 1/20 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
SCHEMBL13363970 1.00 ACHE (0.56) ACHECYP19A1DRD2DRD3METAP1
Hydrochloric Acid SCHEMBL8870977 0.98 ACHE (0.55) ACHECYP19A1DRD2DRD3METAP1
SCHEMBL5753017 0.88 CYP24A1 (0.55) CYP19A1DRD2DRD3METAP1CYP24A1
Hydrochloric Acid SCHEMBL1813880 0.86 CYP24A1 (0.54) CYP19A1DRD2DRD3METAP1CYP24A1
SCHEMBL10206132 0.84 ACHE (0.69) ACHECYP19A1DRD2DRD3METAP1
Hydrochloric Acid SCHEMBL607143 0.83 ACHE (0.67) ACHECYP19A1DRD2DRD3METAP1
SCHEMBL5237022 0.83 ACHE (0.71) ACHECYP19A1DRD2DRD3METAP1
SCHEMBL5237018 0.83 ACHE (0.71) ACHECYP19A1DRD2DRD3METAP1
SCHEMBL5237012 0.83 ACHE (0.71) ACHECYP19A1DRD2DRD3METAP1
SCHEMBL3875408 0.81 ACHE (0.56) ACHECYP19A1DRD2DRD3METAP1

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
EP-2684953-B1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORP (JP) 2017-06-28 EP disclosed
US-9029113-B2 Modified aminotransferase, gene thereof, and method for producing optically active amino compound using same KANEKA CORPORATION (JP) 2015-05-12 US disclosed
EP-2684953-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME Kaneka Corporation (JP) 2014-01-15 EP disclosed
US-20140004575-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORPORATION (JP) 2014-01-02 US disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL ACHE 597/4885CYP19A1 2176/4885DRD2 3821/4885

“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.