SCHEMBL6609510

SCHEMBL6609510

O=C1C2CN(Cc3ccccc3)CC1CN(C(=O)O)C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.53
S1PR1 P21453 1/20 0.53
FUCA1 P04066 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
FAAH O00519 1/20 0.47
HSD11B1 P28845 1/20 0.46
GRIN2B Q13224 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2962712 0.88 FUCA1 (0.58) S1PR5S1PR1FUCA1TSHRHPGD
SCHEMBL4692050 0.83 GRIN2B (0.58) S1PR5S1PR1FUCA1KMT2AMEN1
SCHEMBL7685605 0.83 GRIN2B (0.58) S1PR5S1PR1FUCA1KMT2AMEN1
SCHEMBL10410773 0.82 KDM4E (0.50) ALDH1A1KDM4E
SCHEMBL2852290 0.81 FUCA1 (0.51) S1PR5S1PR1FUCA1KMT2AMEN1
SCHEMBL21220647 0.81 FUCA1 (0.51) S1PR5S1PR1FUCA1KMT2AMEN1
SCHEMBL21238086 0.81 FUCA1 (0.51) S1PR5S1PR1FUCA1KMT2AMEN1
SCHEMBL14529645 0.81 ALDH1A1 (0.53) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL20417932 0.81 FUCA1 (0.55) S1PR5S1PR1FUCA1TSHRALDH1A1
SCHEMBL19518531 0.81 FUCA1 (0.55) S1PR5S1PR1FUCA1TSHRALDH1A1

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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6492382-B1 Dried or frozen pharmaceutical preparation containing a class III antiarrhythmic compound ASTRAZENECA AB (SE) 2002-12-10 US disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D S1PR5 1338/4885S1PR1 904/4885FUCA1 3693/4885

“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.