SCHEMBL2390468

SCHEMBL2390468

O=C1CC(CO)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.46
ADORA3 P0DMS8 2/20 0.41
AR P10275 2/20 0.41
HSD11B1 P28845 1/20 0.41
AKR1C3 P42330 1/20 0.41
HTR2A P28223 1/20 0.41
S100A4 P26447 1/20 0.40
GLS O94925 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAOB P27338 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AXL P30530 1/20 0.36
TRPM5 Q9NZQ8 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
SCHEMBL568436 0.82 HTR2C (0.49) HTR2CADORA3ARHSD11B1AKR1C3
SCHEMBL23617909 0.80 HTR2C (0.43) HTR2CADORA3ARHSD11B1AKR1C3
SCHEMBL569181 0.80 TP53 (0.46) HTR2CADORA3ARHSD11B1AKR1C3
SCHEMBL30978693 0.80 TP53 (0.46) HTR2CADORA3ARHSD11B1AKR1C3
SCHEMBL5740049 0.79 HSD17B10 (0.50) HTR2CADORA3ARHSD11B1AKR1C3
SCHEMBL6588001 0.78 MAOB (0.47) HTR2CHSD11B1HTR2ACYP19A1MAOB
SCHEMBL11869980 0.75 AR (0.46) ADORA3ARHSD11B1AKR1C3S100A4
SCHEMBL19302757 0.75 AR (0.46) ADORA3ARHSD11B1AKR1C3S100A4
SCHEMBL30737888 0.75 AR (0.46) ADORA3ARHSD11B1AKR1C3S100A4
SCHEMBL2929675 0.75 AR (0.46) ADORA3ARHSD11B1AKR1C3S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042480-B1 AMINOINDAN DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2013-05-01 EP disclosed
CN-101489984-B Aminoindan derivative or salt thereof ASTELLAS PHARMA INC 2013-04-03 CN disclosed
US-8013018-B2 Aminoindane derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
CN-101489984-A Aminoindan derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-07-22 CN disclosed
EP-2042480-A1 AMINOINDAN DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-01 EP 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-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF GRIN3A, OPRL1, GRIN2A HTR2C 169/4885ADORA3 67/4885AR 252/4885

“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.