SCHEMBL67079

SCHEMBL67079

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.58
FOLH1 Q04609 3/20 0.49
SLC6A3 Q01959 3/20 0.48
CACNA1F O60840 2/20 0.48
DRD4 P21917 2/20 0.48
DRD5 P21918 2/20 0.48
HRH2 P25021 2/20 0.48
ADRA1D P25100 2/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
ADRA1A P35348 2/20 0.48
HRH1 P35367 2/20 0.48
ADRA1B P35368 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
HTR6 P50406 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48

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
SCHEMBL67664 0.94 TBXA2R (0.65) TBXA2RFOLH1SLC6A3CACNA1FDRD4
SCHEMBL67228 0.88 CACNA1B (0.53) TBXA2RFOLH1SLC6A3CACNA1FDRD4
SCHEMBL27868603 0.87 TBXA2R (0.50) TBXA2RFOLH1LMNA
SCHEMBL6512170 0.87 TBXA2R (0.50) TBXA2RFOLH1LMNA
SCHEMBL2743522 0.87 TBXA2R (0.50) TBXA2RFOLH1LMNA
SCHEMBL27788468 0.84 TBXA2R (0.51) TBXA2RFOLH1CACNA1BLMNA
SCHEMBL7323763 0.83 CACNA1B (0.49) TBXA2RFOLH1SLC6A3CACNA1FDRD4
SCHEMBL2538851 0.82 TBXAS1 (0.47) TBXA2RSLC6A3ADRA1ATBXAS1LMNA
Hydrochloric Acid SCHEMBL9501139 0.82 SCN5A (0.53) TBXA2RFOLH1SLC6A3CACNA1BLMNA
SCHEMBL5692956 0.82 TBXAS1 (0.63) TBXA2RSLC6A3HTR2AADRA1AHRH1

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-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
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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 (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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S TBXA2R 207/4885FOLH1 2125/4885SLC6A3 520/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S TBXA2R 207/4885FOLH1 2125/4885SLC6A3 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.