SCHEMBL66024

SCHEMBL66024

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.44
CYP19A1 P11511 6/20 0.44
SLC6A3 Q01959 3/20 0.40
CACNA1B Q00975 2/20 0.40
TBXA2R P21731 3/20 0.39
MAPK1 P28482 2/20 0.39
FAAH O00519 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA1F O60840 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL66945 0.94 SCN5A (0.43) SCN5ACYP19A1SLC6A3CACNA1BTBXA2R
SCHEMBL67251 0.88 CYP19A1 (0.41) SCN5ACYP19A1CACNA1BMAPK1MITF
SCHEMBL21855589 0.83 CYP19A1 (0.45) CYP19A1CACNA1BMAPK1TSHRHTR2A
SCHEMBL7235720 0.82 HRH1 (0.54) CYP19A1HTR2AHRH1
SCHEMBL12860041 0.81 HIF1A (0.31) SCN5ASLC6A3TBXA2R
SCHEMBL6179732 0.81 SLC6A3 (0.33) SCN5ACYP19A1SLC6A3TBXA2R
SCHEMBL6963246 0.80 SERPINH1 (0.39) SCN5ACYP19A1CACNA1BMAPK1MITF
SCHEMBL26109029 0.77 IDO1 (0.32) CYP19A1SLC6A3LMNAHTTMEN1
SCHEMBL6223969 0.77 IDO1 (0.32) CYP19A1SLC6A3LMNAHTTMEN1
SCHEMBL65457 0.75 CACNA2D1 (0.37) CYP19A1CACNA1BMAPK1CACNA1CMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577171-B1 Use of piperazine acetamide derivatives against reperfusion damage JANSSEN PHARMACEUTICA NV (BE) 2002-03-06 EP claimed
EP-0577171-A2 Use of piperazine acetamide derivatives against reperfusion damage JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-05 EP claimed
EP-0455789-A1 METHOD OF PREVENTING OR LIMITING REPERFUSION DAMAGE. JANSSEN PHARMACEUTICA NV (BE) 1991-11-13 EP claimed
WO-1991007967-A2 METHOD OF PREVENTING OR LIMITING REPERFUSION DAMAGE JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-13 WO claimed
WO-2020033909-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING BREAST CANCER TEXAS TECH UNIVERSITY SYSTEM (US) 2020-02-13 WO disclosed
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-0577171-B1 Use of piperazine acetamide derivatives against reperfusion damage JANSSEN PHARMACEUTICA NV (BE) 2002-03-06 EP disclosed
US-5840896-A PREPARING 2-AMINOCARBONYL-N-(4-AMINO-2,6-DICHLOROPHENYL)-4-(5,5-BIS(4-FLUOROPHENYL) -PENTYL)-1-PIPERAZINEACETAMIDE; CYCLIZATION; HYDROGENATION CATALYSIS; REDUCTIVE N-ALKYLATION JANSSEN PHARMACEUTICA, N.V. (BE) 1998-11-24 US disclosed
US-5840896-A PREPARING 2-AMINOCARBONYL-N-(4-AMINO-2,6-DICHLOROPHENYL)-4-(5,5-BIS(4-FLUOROPHENYL) -PENTYL)-1-PIPERAZINEACETAMIDE; CYCLIZATION; HYDROGENATION CATALYSIS; REDUCTIVE N-ALKYLATION JANSSEN PHARMACEUTICA, N.V. (BE) 1998-11-24 US disclosed
EP-0455789-B1 METHOD OF PREVENTING OR LIMITING REPERFUSION DAMAGE JANSSEN PHARMACEUTICA NV (BE) 1994-03-16 EP disclosed
EP-0577171-A2 Use of piperazine acetamide derivatives against reperfusion damage JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-05 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 (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 SCN5A 179/4885CYP19A1 1083/4885SLC6A3 520/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S SCN5A 179/4885CYP19A1 1083/4885SLC6A3 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.