SCHEMBL3333802

SCHEMBL3333802

Fc1ccc(CN2C[CH]CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL3334754 0.89 HRH3 (0.48) MAOAMAPTKDM4EMAPK1BCHE
SCHEMBL982074 0.88 MAPT (0.54) MAPTKDM4EMAPK1BCHEACHE
SCHEMBL15309150 0.81 KDM4E (0.64) KDM4EBCHEACHEBACE1ALDH1A1
SCHEMBL29101920 0.81 ALDH1A1 (0.55) MAPTKDM4EMAPK1BCHEACHE
SCHEMBL159371 0.80 SIGMAR1 (0.61) MAOAKDM4EBCHEACHEBACE1
SCHEMBL8117468 0.79 MAPT (0.67) MAPTKDM4EMAPK1
SCHEMBL7204490 0.77 HPGD (0.46) KDM4ETDP1ALDH1A1POLB
SCHEMBL22468374 0.77 SIGMAR1 (0.60) MAOAMAPTKDM4EALDH1A1POLB
SCHEMBL2791022 0.75 MAOA (0.55) MAOAMAPTKDM4EALDH1A1POLB
SCHEMBL5319459 0.75 HRH3 (0.74) MAPTKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1436077-A stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2003-08-13 CN claimed
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2003-04-17 US claimed
EP-1285655-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS Sankyo Company, Limited (JP) 2003-02-26 EP claimed
US-20100144696-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2010-06-10 US disclosed
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2010-06-10 US disclosed
CN-100450483-C stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2009-01-14 CN disclosed
US-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
CN-1436077-A stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2003-08-13 CN disclosed
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2003-04-17 US disclosed
EP-1285655-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS Sankyo Company, Limited (JP) 2003-02-26 EP 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 (4 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-20100144696-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B MAOA 1896/4885MAPT 1506/4885KDM4E 1464/4885
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B MAOA 1896/4885MAPT 1506/4885KDM4E 1464/4885
US-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B MAOA 1896/4885MAPT 1506/4885KDM4E 1464/4885
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1S, CACNA1C, CACNA1D MAOA 2428/4885MAPT 1642/4885KDM4E 1026/4885

“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.