SCHEMBL650638

SCHEMBL650638

NC(C(=O)O)C1CCC(O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
DPP7 Q9UHL4 3/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 2/20 0.43
GRM2 Q14416 3/20 0.40
GRM3 Q14832 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
GRM5 P41594 1/20 0.40
PMP22 Q01453 1/20 0.40
GRM1 Q13255 1/20 0.40
GRM4 Q14833 1/20 0.40

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
SCHEMBL7077492 1.00 DPP4 (0.46) DPP4DPP7DPP8DPP9SLC1A2
SCHEMBL342059 1.00 DPP4 (0.46) DPP4DPP7DPP8DPP9SLC1A2
SCHEMBL412802 0.90
SCHEMBL412803 0.90
SCHEMBL1531463 0.90
Hydrochloric Acid SCHEMBL17423093 0.87
Hydrochloric Acid SCHEMBL17423095 0.87
SCHEMBL1764006 0.81 DPP4 (0.47) DPP4SLC1A2SLC1A1GRM2GRM3
SCHEMBL17729296 0.81 DPP4 (0.47) DPP4SLC1A2SLC1A1GRM2GRM3
SCHEMBL15190184 0.81 DPP4 (0.46) DPP4DPP7DPP8DPP9SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648675-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS International Flora Technologies, Ltd. (US) 2013-10-16 EP disclosed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
US-20120148517-A1 Hair Relaxing and Straightening Compositions INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 US disclosed
WO-2012078658-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 WO disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
CN-102171209-A Inhibitors of IAP GENENTECH INC 2011-08-31 CN disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US disclosed
US-20030144292-A1 Carbocyclic side chain containing, N-substituted metalloprotease inhibitors PROCTER & GAMBLE COMPANY, THE 2003-07-31 US disclosed
EP-1284976-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2003-02-26 EP disclosed
EP-1265886-A2 CARBOCYCLIC SIDE CHAIN CONTAINING, N-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-12-18 EP disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed
WO-2001070720-A2 CARBOCYCLIC SIDE CHAIN CONTAINING, N-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-09-27 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 (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-20120148517-A1 Hair Relaxing and Straightening Compositions PDE6G, SHH, DNMT3L DPP4 4750/4885DPP7 4275/4885DPP8 4373/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 DPP4 1125/4885DPP7 818/4885DPP8 2156/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 DPP4 1440/4885DPP7 1133/4885DPP8 2528/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 DPP4 1440/4885DPP7 1133/4885DPP8 2528/4885
US-20030144292-A1 Carbocyclic side chain containing, N-substituted metalloprotease inhibitors MMP2, MMP3, CMA1 DPP4 156/4885DPP7 70/4885DPP8 142/4885

“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.