SCHEMBL30510

SCHEMBL30510

c1ccc(OC2CC(N3CCN(c4ccccc4)CC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
GRIN2B Q13224 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
SLC6A4 P31645 2/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 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
SCHEMBL30509 0.77 MAPT (0.51) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL8613090 0.77 DRD2 (0.49) SLC6A2SLC6A3GRIN2BALDH1A1MBTD1
SCHEMBL11980118 0.76 GRIN2B (0.57) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL20759858 0.76 GRIN2B (0.57) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL11980119 0.76 GAA (0.50) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL14161697 0.75 GRIN2B (0.76) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL13648726 0.72 L3MBTL3 (0.72) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL13648728 0.72 L3MBTL3 (0.72) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL20760976 0.71 GRIN2B (0.59) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL22848097 0.70 L3MBTL3 (0.70) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1

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 18 patents. 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-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-8900550-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2014-12-02 US disclosed
EP-2610234-A1 Catalytic radiofluorination The General Hospital Corporation (US) 2013-07-03 EP disclosed
US-20130115168-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2013-05-09 US disclosed
EP-1725269-B1 CATALYTIC RADIOFLUORINATION GEN HOSPITAL CORP (US) 2012-12-26 EP disclosed
US-8257680-B1 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2012-09-04 US disclosed
US-20120207677-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2012-08-16 US disclosed
EP-2388017-A2 Catalytic radiofluorination The General Hospital Corporation (US) 2011-11-23 EP disclosed
US-8040117-B2 Closed loop negative feedback system with low frequency modulated gain FLEXTRONICS AP, LLC (US) 2011-10-18 US disclosed
US-20100215578-A1 Catalytic Radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2010-08-26 US disclosed
US-7632485-B2 Catalytic radiofluorination MASSACHUSETTS GENERAL HOSPITAL (US) 2009-12-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20130115168-A1 Catalytic Radiofluorination ARSA, STS, KCNK18 SLC6A2 1152/4885SLC6A3 575/4885GRIN2B 4059/4885
US-10098974-B2 Catalytic radiofluorination ARSA, STS, KCNK18 SLC6A2 1152/4885SLC6A3 575/4885GRIN2B 4059/4885
US-10058625-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 SLC6A2 2257/4885SLC6A3 1817/4885GRIN2B 4487/4885
US-20190054198-A1 CATALYTIC RADIOFLUORINATION KCNJ5, KCNQ5, KCNK18 SLC6A2 2257/4885SLC6A3 1817/4885GRIN2B 4487/4885
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 SLC6A2 377/4885SLC6A3 373/4885GRIN2B 3399/4885
US-20150283273-A1 Catalytic Radiofluorination KCNJ5, KCNQ5, KCNK18 SLC6A2 2257/4885SLC6A3 1817/4885GRIN2B 4487/4885
US-10695449-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 SLC6A2 2257/4885SLC6A3 1817/4885GRIN2B 4487/4885
US-20100215578-A1 Catalytic Radiofluorination KCNJ5, KCNQ5, KCNK18 SLC6A2 2257/4885SLC6A3 1817/4885GRIN2B 4487/4885
US-20150132223-A1 Catalytic Radiofluorination ARSA, KCNK18, STS SLC6A2 1258/4885SLC6A3 780/4885GRIN2B 3857/4885
US-20120207677-A1 CATALYTIC RADIOFLUORINATION ARSA, STS, KCNK18 SLC6A2 1152/4885SLC6A3 575/4885GRIN2B 4059/4885

“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.