SCHEMBL30509

SCHEMBL30509

c1ccc(COC2CC(N3CCN(c4ccccc4)CC3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.48
GRIN2B Q13224 1/20 0.48
DRD4 P21917 1/20 0.45
GRM5 P41594 1/20 0.45
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL21141930 0.84 MEN1 (0.44) ALDH1A1CTSLCTSBCTSKTSHR
SCHEMBL21828142 0.84 MEN1 (0.44) ALDH1A1CTSLCTSBCTSKTSHR
SCHEMBL21827417 0.84 MEN1 (0.44) ALDH1A1CTSLCTSBCTSKTSHR
SCHEMBL20594278 0.82 SIGMAR1 (0.53) ALDH1A1DRD4KDM4EDRD2TSHR
SCHEMBL21920972 0.82 SIGMAR1 (0.53) ALDH1A1DRD4KDM4EDRD2TSHR
SCHEMBL38659290 0.81 SLC6A2 (0.44) CTSLCTSBCTSKCYP2C19HTR1A
SCHEMBL3828650 0.80 KDM4E (0.47) ALDH1A1GRIN2BGRM5CTSLCTSB
SCHEMBL3828648 0.80 KDM4E (0.47) ALDH1A1GRIN2BGRM5CTSLCTSB
SCHEMBL8620387 0.79 MAPT (0.48) MAPTALDH1A1GRIN2BDRD2
SCHEMBL30510 0.77 SLC6A2 (0.53) MAPTALDH1A1GRIN2BDRD4MBTD1

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 19 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
WO-2008022319-A2 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2008-02-21 WO 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 MAPT 4632/4885ALDH1A1 1308/4885GRIN2B 4059/4885
US-10098974-B2 Catalytic radiofluorination ARSA, STS, KCNK18 MAPT 4632/4885ALDH1A1 1308/4885GRIN2B 4059/4885
US-10058625-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 MAPT 4437/4885ALDH1A1 1427/4885GRIN2B 4487/4885
US-20190054198-A1 CATALYTIC RADIOFLUORINATION KCNJ5, KCNQ5, KCNK18 MAPT 4437/4885ALDH1A1 1427/4885GRIN2B 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 MAPT 2899/4885ALDH1A1 3071/4885GRIN2B 3399/4885
US-20150283273-A1 Catalytic Radiofluorination KCNJ5, KCNQ5, KCNK18 MAPT 4437/4885ALDH1A1 1427/4885GRIN2B 4487/4885
US-10695449-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 MAPT 4437/4885ALDH1A1 1427/4885GRIN2B 4487/4885
US-20100215578-A1 Catalytic Radiofluorination KCNJ5, KCNQ5, KCNK18 MAPT 4437/4885ALDH1A1 1427/4885GRIN2B 4487/4885
US-20150132223-A1 Catalytic Radiofluorination ARSA, KCNK18, STS MAPT 4620/4885ALDH1A1 1178/4885GRIN2B 3857/4885
US-20120207677-A1 CATALYTIC RADIOFLUORINATION ARSA, STS, KCNK18 MAPT 4632/4885ALDH1A1 1308/4885GRIN2B 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.