SCHEMBL346040

SCHEMBL346040

CC(=O)OC(=O)CN(C)C(=N)N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CA1 P00915 18/20 0.36
CA2 P00918 18/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3812152 0.90 NOS3 (0.39) NOS3NOS1NOS2CA1CA2
Water SCHEMBL21810558 0.88 NOS3 (0.38) NOS3NOS1NOS2CA1CA2
SCHEMBL5326458 0.86 NOS3 (0.37) NOS3NOS1NOS2CA1CA2
SCHEMBL449032 0.85 NOS3 (0.34) NOS3NOS1NOS2CA1CA2
SCHEMBL941222 0.84 ALDH1A1 (0.38) NOS3NOS1NOS2CA1CA2
SCHEMBL21404061 0.84 CA1 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL5686362 0.83 CA1 (0.33) NOS3NOS1NOS2CA1CA2
Water SCHEMBL8466789 0.83 CA1 (0.33) NOS3NOS1NOS2CA1CA2
SCHEMBL5345186 0.82 CA1 (0.36) NOS3NOS1NOS2CA1CA2
SCHEMBL584167 0.82 NOS3 (0.35) NOS3NOS1NOS2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10888719-B2 Active substance combination of creatine and/or creatinine and phenoxyethanol BEIERSDORF AG (DE) 2021-01-12 US claimed
US-10682534-B2 Cosmetic preparations containing creatine and/or creatinine and organic thickeners BEIERSDORF, AG (DE) 2020-06-16 US claimed
EP-1642559-B1 Use of creatine and/or creatine derivatives and folic acid in cosmetic or dermatological preparations BEIERSDORF AG (DE) 2018-04-04 EP claimed
US-20140171682-A1 Creatine hydrochloride and manufacturing method thereof Tianjin Tiancheng Pharmaceutical Co., Ltd (China) 2014-06-19 US claimed
EP-1885328-B1 ACTIVE INGREDIENT COMBINATIONS OF GLUCOSYL GLYCERIDES AND CREATINE AND/OR CREATININE BEIERSDORF AG (DE) 2012-08-01 EP claimed
EP-1296642-B1 USE OF CREATINE AND/OR CREATINE DERIVATIVES IN DERMATOLOGICAL PREPARATIONS BEIERSDORF AG (DE) 2011-10-26 EP claimed
US-20090137497-A1 ACTIVE INGREDIENT COMBINATIONS OF GLUCOSYL GLYCERIDES AND CREATINE AND/OR CREATININE BEIERSDORF AG (DE) 2009-05-28 US claimed
EP-1406599-B1 COSMETIC AND DERMATOLOGICAL PREPARATIONS CONTAINING CREATINE FOR TREATING AND ACTIVELY PREVENTING DRY SKIN AND OTHER NEGATIVE ALTERATIONS OF THE PHYSIOLOGICAL HOMEOSTASIS OF HEALTHY SKIN BEIERSDORF AG (DE) 2009-04-15 EP claimed
US-20060241021-A1 Methods of treating cognitive dysfunction by modulating brain energy metabolism UNIVERSITY OF CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER 2006-10-26 US claimed
US-20060018869-A1 Cosmetic or dermatological preparation with a content of creatine, creatinine or derivatives thereof in combination with soybean germ extract BEIERSDORF AG 2006-01-26 US claimed
EP-1567180-A2 METHODS OF TREATING COGNITIVE DYSFUNCTION BY MODULATING BRAIN ENERGY METABOLISM Avicena Group, Inc. (US) 2005-08-31 EP claimed
US-20040258717-A1 Cosmetic and dermatological preparations containing creatine for treating and actively preventing dry skin and other negative alterations of the physiological homeostasis of the healthy-skin BEIERSDORF AG (DE) 2004-12-23 US claimed
US-20040241197-A1 Cosmetic or dermatological preparations including creatinine or a derivative thereof and creatine or a derivative thereof and methods of applying the preparations to the skin BEIERSDORF AG 2004-12-02 US claimed
US-20040126366-A1 Methods of treating cognitive dysfunction by modulating brain energy metabolism CINCINNATI, UNIVERSITY OF 2004-07-01 US claimed
US-20040029969-A1 Use of creatine or creatine derivatives in cosmetic or dematological preparations BEIERSDORF AG 2004-02-12 US claimed
WO-2003101402-A2 METHODS OF TREATING COGNITIVE DYSFUNCTION BY MODULATING BRAIN ENERGY METABOLISM AVICENA GROUP, INC. (US) 2003-12-11 WO claimed
EP-4719464-A1 TREATMENT OF TYPE 1 DIABETES (T1D) WITH TOLERIZING NANOPARTICLES Cour Pharmaceuticals Development Company Inc. (US) 2026-04-08 EP disclosed
EP-4687970-A1 TOLERIZING IMMUNE MODIFYING NANOPARTICLES FOR MYASTHENIA GRAVIS TREATMENT Cour Pharmaceuticals Development Company Inc. (US) 2026-02-11 EP disclosed
US-20020182234-A1 Self-foaming or foam-like preparations BEIERSDORF AKTIENGESELLSCHAFT 2002-12-05 US disclosed
US-20020102289-A1 Cosmetic or dermatological impregnated wipes BEIERSDORF AG (DE) 2002-08-01 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 (11 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-20140171682-A1 Creatine hydrochloride and manufacturing method thereof CKMT1A; CKMT1B, CRAT, PRKCE NOS3 3200/4885NOS1 3050/4885NOS2 3270/4885
US-20020182234-A1 Self-foaming or foam-like preparations FFAR2, LIPA, FFAR1 NOS3 70/4885NOS1 47/4885NOS2 26/4885
US-20020102289-A1 Cosmetic or dermatological impregnated wipes CUTA, PWWP2B, WIZ NOS3 2959/4885NOS1 1540/4885NOS2 1754/4885
US-20060241021-A1 Methods of treating cognitive dysfunction by modulating brain energy metabolism PC, PYGB, PCK2 NOS3 728/4885NOS1 822/4885NOS2 694/4885
US-10888719-B2 Active substance combination of creatine and/or creatinine and phenoxyethanol REN, CKMT1A; CKMT1B, CRAT NOS3 2337/4885NOS1 2930/4885NOS2 2431/4885
US-20040241197-A1 Cosmetic or dermatological preparations including creatinine or a derivative thereof and creatine or a derivative thereof and methods of applying the preparations to the skin CUTA, CKMT1A; CKMT1B, REN NOS3 1747/4885NOS1 1826/4885NOS2 1723/4885
US-20090137497-A1 ACTIVE INGREDIENT COMBINATIONS OF GLUCOSYL GLYCERIDES AND CREATINE AND/OR CREATININE GK, GLA, GRHPR NOS3 3744/4885NOS1 3487/4885NOS2 3432/4885
US-10682534-B2 Cosmetic preparations containing creatine and/or creatinine and organic thickeners CKMT1A; CKMT1B, OTC, CRAT NOS3 1186/4885NOS1 1943/4885NOS2 1281/4885
US-20040126366-A1 Methods of treating cognitive dysfunction by modulating brain energy metabolism PC, PYGB, PCK2 NOS3 728/4885NOS1 822/4885NOS2 694/4885
US-20040029969-A1 Use of creatine or creatine derivatives in cosmetic or dematological preparations CKMT1A; CKMT1B, RARS2, CRAT NOS3 1272/4885NOS1 1370/4885NOS2 1300/4885
US-20060018869-A1 Cosmetic or dermatological preparation with a content of creatine, creatinine or derivatives thereof in combination with soybean germ extract CKMT1A; CKMT1B, AGER, CUTA NOS3 2452/4885NOS1 2423/4885NOS2 2519/4885

“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.