SCHEMBL25260

SCHEMBL25260

OC1CCC(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.65
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SLC18A3 Q16572 2/20 0.58
ALDH1A1 P00352 2/20 0.57
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
KDM4E B2RXH2 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL14161697 0.91 GRIN2B (0.76) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL12662876 0.84 L3MBTL3 (0.73) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL13648726 0.83 L3MBTL3 (0.72) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL13648728 0.83 L3MBTL3 (0.72) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL28940844 0.83 MBTD1 (0.55) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL20760190 0.82 GRIN2B (0.65) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL372412 0.82 GRIN2B (0.65) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL372411 0.82 GRIN2B (0.65) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL737747 0.82 GRIN2B (0.65) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL13240777 0.82 GRIN2B (0.65) GRIN2BMBTD1L3MBTL3L3MBTL1SLC18A3

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695449-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2020-06-30 US disclosed
US-20190054198-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2019-02-21 US disclosed
US-10098974-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-10-16 US disclosed
US-10058625-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-08-28 US disclosed
US-20150283273-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-10-08 US disclosed
US-20150283273-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-10-08 US disclosed
US-20150283273-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-10-08 US disclosed
US-20150132223-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-05-14 US disclosed
US-20150132223-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION 2015-05-14 US disclosed
US-9017724-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2015-04-28 US disclosed
US-7632485-B2 Catalytic radiofluorination MASSACHUSETTS GENERAL HOSPITAL (US) 2009-12-15 US disclosed
US-7632485-B2 Catalytic radiofluorination MASSACHUSETTS GENERAL HOSPITAL (US) 2009-12-15 US disclosed
US-7632485-B2 Catalytic radiofluorination MASSACHUSETTS GENERAL HOSPITAL (US) 2009-12-15 US disclosed
EP-1725269-A4 CATALYTIC RADIOFLUORINATION GEN HOSPITAL CORP (US) 2009-04-22 EP disclosed
WO-2008022319-A2 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2008-02-21 WO disclosed
WO-2008022319-A2 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2008-02-21 WO disclosed
CN-1921893-A Catalytic radiofluorination GEN HOSPITAL CORP (US) 2007-02-28 CN disclosed
EP-1725269-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2006-11-29 EP disclosed
US-20050260130-A1 Arylphosphonium compounds containing fluorine-18 that are useful as imaging agents; in particular, the phosphonium compound is a tetraaryl phosphonium salt, [F-18]-(4-fluorophenyl)triphenylphosphonium nitrate; Position Emission Tomography MASSACHUSETTS GENERAL HOSPITAL (US) 2005-11-24 US disclosed
WO-2005082425-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2005-09-09 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 (7 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-10098974-B2 Catalytic radiofluorination ARSA, STS, KCNK18 GRIN2B 4059/4885MBTD1 4765/4885L3MBTL3 2574/4885
US-10058625-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 GRIN2B 4487/4885MBTD1 4617/4885L3MBTL3 2704/4885
US-20190054198-A1 CATALYTIC RADIOFLUORINATION KCNJ5, KCNQ5, KCNK18 GRIN2B 4487/4885MBTD1 4617/4885L3MBTL3 2704/4885
US-20050260130-A1 Arylphosphonium compounds containing fluorine-18 that are useful as imaging agents; in particular, the phosphonium compound is a tetraaryl phosphonium salt, [F-18]-(4-fluorophenyl)triphenylphosphonium nitrate; Position Emission Tomography KCNK18, KCNJ5, KCNQ5 GRIN2B 3399/4885MBTD1 4521/4885L3MBTL3 1257/4885
US-20150283273-A1 Catalytic Radiofluorination KCNJ5, KCNQ5, KCNK18 GRIN2B 4487/4885MBTD1 4617/4885L3MBTL3 2704/4885
US-10695449-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 GRIN2B 4487/4885MBTD1 4617/4885L3MBTL3 2704/4885
US-20150132223-A1 Catalytic Radiofluorination ARSA, KCNK18, STS GRIN2B 3857/4885MBTD1 4691/4885L3MBTL3 2396/4885

“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.