SCHEMBL4940158

SCHEMBL4940158

CC(C)(C)OC(=O)N1CCSCC1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 2/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL4942816 1.00 PREP (0.36) PREPHSD17B10ATMSMN1; SMN2NR1H2
SCHEMBL4939744 0.86 PREP (0.35) PREPHSD17B10ATMSMN1; SMN2CTSK
SCHEMBL4942889 0.86 PREP (0.35) PREPHSD17B10ATMSMN1; SMN2CTSK
SCHEMBL28976110 0.85 NR1H2 (0.40) PREPHSD17B10ATMSMN1; SMN2NR1H2
SCHEMBL3071568 0.85 NR1H2 (0.40) PREPHSD17B10ATMSMN1; SMN2NR1H2
SCHEMBL10215590 0.84 PREP (0.37) PREPHSD17B10ATMSMN1; SMN2NR1H2
SCHEMBL5049139 0.84 SRC (0.37) PREPATM
SCHEMBL5049149 0.83 ATM (0.37) PREPHSD17B10ATMSMN1; SMN2NR1H2
SCHEMBL3082893 0.82 PREP (0.36) PREPHSD17B10ATMSMN1; SMN2NR1H2
SCHEMBL3081501 0.81 CTSK (0.40) PREPHSD17B10ATMSMN1; SMN2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269131-A1 Protein kinase B ; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(2S)-2-morpholinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol; cancer and arthritis SMITHKLINE BEECHAM CORPORATION 2008-10-30 US disclosed
US-20080027211-A1 Enantiopure Heterocyclic Compound Useful for the Preparation of Peptides Which Can Be Potentially Used as Medicaments SOLVAY S.A. (BE) 2008-01-31 US disclosed
CN-101035776-A Enantiomerically pure heterocyclic compounds for the preparation of peptides potentially useful as medicaments SOLVAY (BE) 2007-09-12 CN disclosed
EP-1802595-A1 ENANTIOPURE HETEROCYCLIC COMPOUND USEFUL FOR THE PREPARATION OF PEPTIDES WHICH CAN BE POTENTIALLY USED AS MEDICAMENTS Solvay SA (BE) 2007-07-04 EP disclosed
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP disclosed
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2006-11-15 EP disclosed
WO-2006037775-A1 ENANTIOPURE HETEROCYCLIC COMPOUND USEFUL FOR THE PREPARATION OF PEPTIDES WHICH CAN BE POTENTIALLY USED AS MEDICAMENTS Solvay (Société Anonyme) (BE) 2006-04-13 WO disclosed
US-6887865-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-05-03 US disclosed
US-6864368-B2 N-heterocyclic derivatives as NOS inhibitors BERLAX LABORATORIES, INC. (US) 2005-03-08 US disclosed
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-03-27 US disclosed
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-02-06 US disclosed
CN-1100777-C N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2003-02-05 CN disclosed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 US disclosed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 US disclosed
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-11-07 US disclosed
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 US disclosed
CN-1252799-A N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2000-05-10 CN disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 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-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 PREP 1092/4885HSD17B10 334/4885ATM 3477/4885
US-20080027211-A1 Enantiopure Heterocyclic Compound Useful for the Preparation of Peptides Which Can Be Potentially Used as Medicaments NPR3, VIP, NPPA PREP 186/4885HSD17B10 2245/4885ATM 4834/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 PREP 1092/4885HSD17B10 334/4885ATM 3477/4885
US-20080269131-A1 Protein kinase B ; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(2S)-2-morpholinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol; cancer and arthritis MAP4K2, MAPKAPK2, PTK2B PREP 3656/4885HSD17B10 4372/4885ATM 757/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 PREP 1092/4885HSD17B10 334/4885ATM 3477/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 PREP 1092/4885HSD17B10 334/4885ATM 3477/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 PREP 1092/4885HSD17B10 334/4885ATM 3477/4885

“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.