SCHEMBL2733865

SCHEMBL2733865

O=C(NCC1CCNCC1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
TSHR P16473 1/20 0.51
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
CHRM1 P11229 3/20 0.45
CHRM2 P08172 2/20 0.45
CHRM3 P20309 2/20 0.45
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
KDM1A O60341 1/20 0.39
MLYCD O95822 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
Hydrochloric Acid SCHEMBL27189982 0.98 ALOX15 (0.50) ALOX15TSHREPHX1EPHX2CHRM1
Trifluoroacetic Acid SCHEMBL3522640 0.95 ALOX15 (0.47) ALOX15TSHREPHX1EPHX2CHRM1
SCHEMBL3451504 0.89 SLC6A1 (0.46) ALOX15TSHREPHX1EPHX2CHRM1
SCHEMBL870123 0.89 SLC6A1 (0.46) ALOX15TSHREPHX1EPHX2CHRM1
SCHEMBL870122 0.89 SLC6A1 (0.46) ALOX15TSHREPHX1EPHX2CHRM1
Hydrochloric Acid SCHEMBL2768568 0.88 SLC6A1 (0.44) ALOX15TSHREPHX1EPHX2CHRM1
Hydrochloric Acid SCHEMBL2767309 0.88 SLC6A1 (0.44) ALOX15TSHREPHX1EPHX2CHRM1
SCHEMBL9431190 0.86 TDP1 (0.52) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12965576 0.84 ALDH1A1 (0.48) ALOX15TSHREPHX1CHRM1CHRM2
SCHEMBL22169793 0.83 ALOX15 (0.56) ALOX15TSHREPHX1EPHX2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288431-B2 Substituted spiroindolinones HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US claimed
WO-2025068371-A1 INHIBITORS OF THE PROPROTEIN CONVERTASE FURIN, METHODS OF PRODUCTION THEREOF AND USE PHILIPPS-UNIVERSITÄT MARBURG (DE) 2025-04-03 WO disclosed
EP-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed
US-8865865-B2 N-terminally modified tetrapeptide derivatives having a C-terminal arginine mimetic PHILIPPS-UNIVERSITAT MARBURG (DE) 2014-10-21 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8288431-B2 Substituted spiroindolinones HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
WO-2012135113-A2 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-04 WO disclosed
US-8088763-B2 e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-01-03 US disclosed
US-8088763-B2 e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-01-03 US disclosed
US-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-12-22 US disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
US-7407982-B2 Oligo or polyalkylene glycol-coupled thrombin inhibitors HAEMOSYS GMBH (DE) 2008-08-05 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
EP-1878725-A2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2008-01-16 EP disclosed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2006-12-28 US disclosed
US-20050070479-A1 Oligo or polyalkylene glycol-coupled thrombin inhibitors HAEMOSYS GMBH (DE) 2005-03-31 US disclosed
EP-1355674-A2 OLIGO OR POLYALKYLENE GLYCOL-COUPLED THROMBIN INHIBITORS HaemoSys GmbH (DE) 2003-10-29 EP disclosed
WO-2002059065-A2 OLIGO OR POLYALKYLENE GLYCOL-COUPLED THROMBIN INHIBITORS HAEMOSYS GMBH (DE) 2002-08-01 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 (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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 ALOX15 385/4885TSHR 2512/4885EPHX1 1500/4885
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD ALOX15 2058/4885TSHR 4464/4885EPHX1 935/4885
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators CNR2, CNR1, P2RX3 ALOX15 799/4885TSHR 2969/4885EPHX1 461/4885
US-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC FURIN, IAPP, APP ALOX15 2805/4885TSHR 3689/4885EPHX1 2182/4885
US-20050070479-A1 Oligo or polyalkylene glycol-coupled thrombin inhibitors TFPI, SERPINC1, PLG ALOX15 521/4885TSHR 2672/4885EPHX1 967/4885

“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.