SCHEMBL3865396

SCHEMBL3865396

CCCC(=O)On1cc(CCN)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR6 P50406 15/20 0.44
SCN9A Q15858 1/20 0.42
OXER1 Q8TDS5 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CREBBP Q92793 1/20 0.38

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
SCHEMBL25345505 0.85 HTR2A (0.55) HTR2AHTR6SCN9A
SCHEMBL28638911 0.80 HTR2A (0.49) HTR2AHTR6SCN9A
SCHEMBL1858950 0.79 KDM4E (0.41) BCHEACHECREBBP
SCHEMBL4776240 0.79 HTR2A (0.48) HTR2AHTR6SCN9A
SCHEMBL28979708 0.78 CDC25A (0.46) OXER1BCHEACHE
SCHEMBL28979721 0.78 CDC25A (0.46) OXER1BCHEACHE
SCHEMBL28979704 0.78 CDC25A (0.46) OXER1BCHEACHE
SCHEMBL28979727 0.78 CDC25A (0.46) OXER1BCHEACHE
SCHEMBL28054185 0.78 KDM4E (0.40) BCHEACHECREBBP
SCHEMBL27174180 0.77 HTR2A (0.59) HTR2AHTR6SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592350-B2 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2009-09-22 US disclosed
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ORION CORPORATION (FI) 2007-12-20 US disclosed
EP-1490361-B1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORP (FI) 2007-10-03 EP disclosed
US-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists DIN BELLE DAVID 2006-05-04 US disclosed
EP-1490361-A1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORPORATION (FI) 2004-12-29 EP disclosed
WO-2003082866-A1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORPORATION (FI) 2003-10-09 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 (2 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-20060094740-A1 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 HTR2A 229/4885HTR6 293/4885SCN9A 462/4885
US-20070293527-A9 Polycyclic compounds as potent alpha2-adrenoceptor antagonists ADRB2, ADRA2A, ADRB1 HTR2A 229/4885HTR6 293/4885SCN9A 462/4885

“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.