SCHEMBL3669039

SCHEMBL3669039

O=C(O)C1CCC2(CC1)CN(c1ccccc1Cl)C(=O)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.48
NPY5R Q15761 3/20 0.48
NOTUM Q6P988 2/20 0.46
OPRM1 P35372 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
KCNH2 Q12809 2/20 0.43
TRPV4 Q9HBA0 2/20 0.42
RAB9A P51151 1/20 0.39
GRM5 P41594 4/20 0.38
ADRA1A P35348 1/20 0.36
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CASP3 P42574 1/20 0.36
RECQL P46063 1/20 0.36
GALK1 P51570 1/20 0.36
KMT2A Q03164 1/20 0.36
HKDC1 Q2TB90 1/20 0.36

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
SCHEMBL3028152 1.00 HSD11B1 (0.48) HSD11B1NPY5RNOTUMOPRM1SIGMAR1
SCHEMBL3031539 0.86 MAPT (0.51) HSD11B1NPY5ROPRM1SIGMAR1TRPV4
SCHEMBL3031925 0.86 NPY5R (0.48) HSD11B1NPY5RNOTUMOPRM1SIGMAR1
SCHEMBL3031924 0.86 NPY5R (0.48) HSD11B1NPY5RNOTUMOPRM1SIGMAR1
SCHEMBL3670723 0.86 MAPT (0.51) HSD11B1NPY5ROPRM1SIGMAR1TRPV4
SCHEMBL2995097 0.84 OPRM1 (0.53) HSD11B1NPY5RNOTUMOPRM1SIGMAR1
SCHEMBL2999026 0.84 OPRM1 (0.53) HSD11B1NPY5RNOTUMOPRM1SIGMAR1
SCHEMBL3000010 0.84 OPRM1 (0.53) HSD11B1NPY5RNOTUMOPRM1SIGMAR1
SCHEMBL3036715 0.83 HSD11B1 (0.48) HSD11B1NPY5ROPRM1SIGMAR1KCNH2
SCHEMBL3041083 0.80 NPY5R (0.54) HSD11B1NPY5RKCNH2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280260-A1 Holographic storage medium comprising polyfunctional epoxy monomers capable of undergoing cationic polymerization DCE APRILIS, INC. (US) 2010-11-04 US disclosed
EP-2139861-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008129007-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
US-7332249-B2 Holographic storage medium comprising polyfunctional epoxy monomers capable of undergoing cationic polymerization APRILIS, INC. (US) 2008-02-19 US disclosed
US-20070293637-A1 HOLOGRAPHIC STORAGE MEDIUM COMPRISING POLYFUNCTIONAL EPOXY MONOMERS CAPABLE OF UNDERGOING CATIONIC POLYMERIZATION FORCETEC CO., LTD. (KR) 2007-12-20 US disclosed
US-7070886-B2 Holographic storage medium comprising polyfunctional epoxy monomers capable of undergoing cationic polymerization APRILIS, INC. (US) 2006-07-04 US disclosed
EP-1317498-B1 HOLOGRAPHIC STORAGE MEDIUM COMPRISING POLYFUNCTIONAL EPOXY MONOMERS CAPABLE OF UNDERGOING CATIONIC POLYMERIZATION APRILIS INC (US) 2006-06-07 EP disclosed
US-20040249181-A1 Holographic storage medium comprising polyfunctional epoxy monomers capable of undergoing cationic polymerization APRILIS, INC. 2004-12-09 US disclosed
US-6784300-B2 MONOMER/OLIGOMER LINKED BY SILOXANE TO A SILICON ATOM, BINDERS, AN ACID GERNERATOR WHEN EXPOSED TO ACTINIC RADIATION AND A SENSITIZER APRILIS, INC. 2004-08-31 US disclosed
US-20020068223-A1 Holographic storage medium comprising polyfunctional epoxy monomers capable of undergoing cationic polymerization APRILIS, INC. 2002-06-06 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 (3 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-20020068223-A1 Holographic storage medium comprising polyfunctional epoxy monomers capable of undergoing cationic polymerization NEFM, EMD, PCNA HSD11B1 2958/4885NPY5R 3260/4885NOTUM 4120/4885
US-20100280260-A1 Holographic storage medium comprising polyfunctional epoxy monomers capable of undergoing cationic polymerization NEFM, EMD, PCNA HSD11B1 2958/4885NPY5R 3260/4885NOTUM 4120/4885
US-20040249181-A1 Holographic storage medium comprising polyfunctional epoxy monomers capable of undergoing cationic polymerization NEFM, EMD, PCNA HSD11B1 2958/4885NPY5R 3260/4885NOTUM 4120/4885

“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.