SCHEMBL67664

SCHEMBL67664

O=C(O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.65
TBXAS1 P24557 1/20 0.53
SLC6A3 Q01959 4/20 0.49
CACNA1F O60840 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
HRH2 P25021 2/20 0.47
ADRA1D P25100 2/20 0.47
HTR2A P28223 2/20 0.47
HTR7 P34969 2/20 0.47
ADRA1A P35348 2/20 0.47
HRH1 P35367 2/20 0.47
ADRA1B P35368 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
HTR6 P50406 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNA1S Q13698 2/20 0.47

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
SCHEMBL67079 0.94 TBXA2R (0.58) TBXA2RTBXAS1SLC6A3CACNA1FDRD4
SCHEMBL67228 0.86 CACNA1B (0.53) TBXA2RSLC6A3CACNA1FDRD4DRD5
SCHEMBL8742992 0.86 TBXA2R (0.58) TBXA2R
SCHEMBL8743003 0.86 TBXA2R (0.58) TBXA2R
SCHEMBL51338 0.83 TBXAS1 (0.54) TBXA2RTBXAS1LMNACYP3A4TSHR
SCHEMBL8256852 0.83 TBXA2R (0.52) TBXA2RSLC6A3CACNA1FDRD4DRD5
SCHEMBL28987106 0.83 TBXA2R (0.56) TBXA2RTBXAS1LMNAFOLH1
SCHEMBL3154532 0.82 TBXAS1 (0.71) TBXA2RTBXAS1SLC6A3HTR2AADRA1A
SCHEMBL7323763 0.81 CACNA1B (0.49) TBXA2RTBXAS1SLC6A3CACNA1FDRD4
SCHEMBL9092531 0.81 TBXAS1 (0.56) TBXA2RTBXAS1LMNATSHR

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US claimed
EP-1846365-A1 DIAMINE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-10-24 EP claimed
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US claimed
JP-2007518742-A 2007-07-12 JP claimed
JP-2006526000-A 2006-11-16 JP claimed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 EP claimed
US-20060235050-A1 Diamine calcium channel blockers NUEROMED TECHNOLOGIES, INC. (CA) 2006-10-19 US claimed
WO-2006084369-A1 DIAMINE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-08-17 WO claimed
EP-1633343-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Technologies, Inc. (CA) 2006-03-15 EP claimed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO claimed
US-20050014748-A1 N-type calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-01-20 US claimed
WO-2004105750-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2004-12-09 WO claimed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-30 US disclosed
WO-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO disclosed
WO-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO disclosed
US-20040044004-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine NEUROMED TECHNOLOGIES, INC. 2004-03-04 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 (5 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-20050014748-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1I TBXA2R 874/4885TBXAS1 1546/4885SLC6A3 730/4885
US-20060235050-A1 Diamine calcium channel blockers CACNA1G, CACNA1H, CACNA1I TBXA2R 195/4885TBXAS1 340/4885SLC6A3 461/4885
US-20040044004-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D TBXA2R 520/4885TBXAS1 745/4885SLC6A3 1160/4885
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D TBXA2R 520/4885TBXAS1 745/4885SLC6A3 1160/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S TBXA2R 207/4885TBXAS1 416/4885SLC6A3 520/4885

“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.