SCHEMBL2477631

SCHEMBL2477631

N#CCC1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
CYP19A1 P11511 2/20 0.42
ADRA2A P08913 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
DRD3 P35462 1/20 0.35
PREP P48147 1/20 0.35
PLAU P00749 1/20 0.34
PNMT P11086 1/20 0.34

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
SCHEMBL8698966 0.78 IDO1 (0.48) IDO1CYP19A1ADRA2ASIGMAR1DRD3
SCHEMBL5858925 0.78 SIGMAR1 (0.49) SIGMAR1
SCHEMBL23856364 0.78 ADRA2A (0.34) CYP19A1ADRA2APNMT
SCHEMBL30047402 0.78 ADRA2A (0.34) CYP19A1ADRA2APNMT
SCHEMBL12767463 0.78 RYR2 (0.32) IDO1CYP19A1SIGMAR1
SCHEMBL833463 0.77 IDO1 (0.42) IDO1CYP19A1ADRA2ASIGMAR1DRD3
SCHEMBL16061146 0.72 HTR2A (0.42)
SCHEMBL8297690 0.70 OPRM1 (0.45) SIGMAR1
SCHEMBL4244616 0.70 ALDH1A1 (0.45)
SCHEMBL31681706 0.69 GAA (0.42) PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-1998005651-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYL QUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1998-02-12 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-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR IDO1 959/4885CYP19A1 970/4885ADRA2A 115/4885

“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.