SCHEMBL880217

SCHEMBL880217

C(=N\Nc1nc2ccccc2[nH]1)\c1ccc(N2CCOCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.66
▸ MAPT P10636 17/20 0.65
▸ NPC1 O15118 15/20 0.65
▸ RAB9A P51151 15/20 0.65
▸ GAA P10253 14/20 0.65
▸ SMN1; SMN2 Q16637 9/20 0.65
▸ MEN1 O00255 9/20 0.65
▸ KMT2A Q03164 9/20 0.65
▸ TDP1 Q9NUW8 5/20 0.64
▸ MAPK1 P28482 3/20 0.64
▸ ALDH1A1 P00352 5/20 0.59
▸ HPGD P15428 4/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ ALOX12 P18054 2/20 0.59
▸ HTT P42858 4/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ LMNA P02545 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ TP53 P04637 1/20 0.55
▸ POLB P06746 2/20 0.54

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
SCHEMBL10280286 0.80 MAPT (1.00) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL23906527 0.78 MAPT (0.79) FAAHMAPTNPC1RAB9AGAA
SCHEMBL880223 0.76 GAA (1.00) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL10280288 0.76 MAPT (0.56) FAAHMAPTNPC1RAB9AGAA
SCHEMBL10280285 0.75 MAPT (0.73) FAAHMAPTNPC1RAB9AGAA
SCHEMBL880461 0.75 MAPT (0.76) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL15359675 0.74 MAPT (0.76) FAAHMAPTNPC1RAB9AGAA
SCHEMBL10280287 0.74 MAPT (0.76) FAAHMAPTNPC1RAB9AGAA
SCHEMBL880220 0.74 MAPT (1.00) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL14942678 0.72 MAPT (0.68) MAPTNPC1RAB9AGAASMN1; SMN2

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
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 — — US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 — — US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 — — EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 — — US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 — — 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT FAAH 886/4885MAPT 30/4885NPC1 2064/4885

“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.

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