SCHEMBL68253

SCHEMBL68253

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.58
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNA1C Q13936 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CRHBP P24387 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
CRHR2 Q13324 1/20 0.45
HDAC3 O15379 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
SCHEMBL16853745 0.94 CACNA2D1 (0.55) FFAR1LMNAHPGDGAACACNA2D1
SCHEMBL6703313 0.94 CACNA2D1 (0.55) FFAR1LMNAHPGDGAACACNA2D1
SCHEMBL3553105 0.92 FFAR1 (0.56) FFAR1LMNAHPGDGAACACNA2D1
SCHEMBL1979497 0.90 FFAR1 (0.51) FFAR1LMNAHPGDGAACACNA2D1
SCHEMBL16823438 0.90 FFAR1 (0.51) FFAR1LMNAHPGDGAACACNA2D1
SCHEMBL16823437 0.90 FFAR1 (0.51) FFAR1LMNAHPGDGAACACNA2D1
SCHEMBL15577633 0.90 FFAR1 (0.51) FFAR1LMNAHPGDGAACACNA2D1
SCHEMBL10974823 0.90 FFAR1 (0.55) FFAR1LMNAHPGDGAANPSR1
SCHEMBL5705693 0.89 FFAR1 (0.50) FFAR1LMNAHPGDGAACACNA2D1
SCHEMBL28490573 0.86 FFAR1 (0.79) FFAR1LMNAHPGDGAANPSR1

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-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
EP-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP disclosed
US-7462641-B2 (2S,4S)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-L-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-12-09 US disclosed
EP-1654226-B1 (2S,4S)-4-FLUORO-1- 4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL -2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed
WO-2003002530-A2 PYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
US-4918073-A CALCIUM ANTAGONISTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-17 US disclosed
EP-0229623-A2 Diaryl-substituted alkylamines, procedure for their preparation, their application and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed
EP-0035363-B1 INDANE DERIVATIVES, METHODS OF THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM KEFALAS A/S (DK) 1985-05-02 EP disclosed
US-4443448-A ANALGESICS, ANTIDEPRESSANTS, NEUROLEPTICS KEFALAS A/S (DK) 1984-04-17 US disclosed
EP-0035363-A1 Indane derivatives, methods of their preparation and compositions containing them KEFALAS A/S (DK) 1981-09-09 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S FFAR1 1178/4885LMNA 598/4885HPGD 1353/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S FFAR1 1178/4885LMNA 598/4885HPGD 1353/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 FFAR1 2207/4885LMNA 2376/4885HPGD 1410/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 FFAR1 2207/4885LMNA 2376/4885HPGD 1410/4885

“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.