SCHEMBL3735766

SCHEMBL3735766

CC(C)(C)OC(=O)N1CC2CCCCC2C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
EPHX1 P07099 1/20 0.38
NR1H2 P55055 2/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
PREP P48147 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
ELANE P08246 1/20 0.35
NR1H3 Q13133 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL3731319 0.97 LIPE (0.39) LIPEPDE4APDE4BPDE4CPDE4D
SCHEMBL31509818 0.91 LIPE (0.40) LIPEPDE4APDE4BPDE4CPDE4D
SCHEMBL3739276 0.91 LIPE (0.40) LIPEPDE4APDE4BPDE4CPDE4D
SCHEMBL22034964 0.87 PDE4A (0.46) LIPEPDE4APDE4BPDE4CPDE4D
SCHEMBL3747007 0.83 NR1H2 (0.43) LIPENR1H2CHRM2CHRM1CHRM3
SCHEMBL30326282 0.83 NR1H2 (0.43) LIPENR1H2CHRM2CHRM1CHRM3
SCHEMBL24510440 0.81 LIPE (0.44) LIPEEPHX1NR1H2HPGDGPR119
SCHEMBL3744055 0.79 EPHX1 (0.40) PDE4APDE4BPDE4CPDE4DEPHX1
SCHEMBL17925891 0.79 USP2 (0.38) LIPENR1H2CHRM2CHRM1CHRM3
SCHEMBL20531880 0.78 CHRNB2 (0.38) LIPENR1H2CHRM2CHRM1CHRM3

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
US-8242285-B2 N-tert-butoxycarbonyl-2-pyrrolidinones and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed
US-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-12 US disclosed
US-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-25 US disclosed
EP-2014648-A1 PROCESS FOR PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDUCT SALT THEREOF Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP disclosed
EP-2008999-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-12-31 EP disclosed
EP-1615886-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP disclosed
US-20050250800-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN S 2005-11-10 US disclosed
US-20050137215-A1 [C]-fused bicyclic proline derivatives and their use for treating arthritic conditions GUZZO PETER R (US) 2005-06-23 US disclosed
WO-2004092134-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-06-26 US disclosed
US-6489352-B2 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2002-12-03 US disclosed
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2002-02-14 US disclosed
US-6316638-B1 FOR THERAPY OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, AND NEUROPATHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-11-13 US disclosed
EP-1082306-A1 CONFORMATIONALLY CONSTRAINED AMINO ACID COMPOUNDS HAVING AFFINITY FOR THE ALPHA2DELTA SUBUNIT OF A CALCIUM CHANNEL WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999061424-A1 CONFORMATIONALLY CONSTRAINED AMINO ACID COMPOUNDS HAVING AFFINITY FOR THE ALPHA2DELTA SUBUNIT OF A CALCIUM CHANNEL WARNER-LAMBERT COMPANY (US) 1999-12-02 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 (7 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-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF C9, NPPA, ADH1C LIPE 4827/4885PDE4A 2985/4885PDE4B 3158/4885
US-20050250800-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, GABRA6, GABRA2 LIPE 3495/4885PDE4A 560/4885PDE4B 424/4885
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 LIPE 4004/4885PDE4A 672/4885PDE4B 579/4885
US-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF TERT, CBR1, TELO2 LIPE 3480/4885PDE4A 4686/4885PDE4B 4683/4885
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 LIPE 4004/4885PDE4A 672/4885PDE4B 579/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 LIPE 3480/4885PDE4A 4686/4885PDE4B 4683/4885
US-20050137215-A1 [C]-fused bicyclic proline derivatives and their use for treating arthritic conditions PPIC, PRAP1, PRRC2C LIPE 4578/4885PDE4A 2327/4885PDE4B 2868/4885

“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.