SCHEMBL2955332

SCHEMBL2955332

CCCN(CCC)C(=N)NC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.40
GRIN3B O60391 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2B Q13224 4/20 0.40
GRIN2C Q14957 4/20 0.40
GRIN3A Q8TCU5 4/20 0.40
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA1 P00915 2/20 0.36
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
Hydrochloric Acid SCHEMBL28169773 0.98 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6263383 0.91 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL27469586 0.90 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18941584 0.89 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL29035134 0.87 CA12 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL29035132 0.87 CA12 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3073635 0.87 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17777528 0.85 CA12 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2955338 0.85 CA12 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8498288 0.84 CA12 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-11-23 US claimed
CN-107108536-A Biguanide compound and application thereof 伊谬诺米特医疗有限公司 2017-08-29 CN claimed
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP claimed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP claimed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO claimed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US claimed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US claimed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
US-11565022-B2 Therapy for post-traumatic osteoarthritis UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2023-01-31 US disclosed
US-20220265700-A1 METHODS TO PREVENT, INHIBIT OR TREAT INTERVERTEBRAL DISC DEGENERATION UNIVERSITY OF IOWA RESEARCH FOUNDATION 2022-08-25 US disclosed
EP-3337523-B1 PREVENTATIVE THERAPY FOR POST-TRAUMATIC OSTEOARTHRITIS UNIV IOWA RES FOUND (US) 2022-04-27 EP disclosed
CN-114010640-A Prophylactic treatment of post-traumatic osteoarthritis 爱荷华大学研究基金会 2022-02-08 CN disclosed
CN-108136070-B Prophylactic treatment of post-traumatic osteoarthritis 爱荷华大学研究基金会 2021-11-23 CN disclosed
EP-1175155-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2002-01-30 EP disclosed
WO-2000062626-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2000-10-26 WO disclosed
US-5254593-A Compositions containing biguanides and derivatives thereof as inhibitors of nonenzymatic cross-linking THE ROCKEFELLER UNIVERSITY (US) 1993-10-19 US disclosed
WO-1992007560-A1 BIGUANIDES AND DERIVATIVES THEREOF AS INHIBITORS OF ADVANCED GLYCOSYLATION OF A TARGET PROTEIN THE ROCKEFELLER UNIVERSITY (US) 1992-05-14 WO disclosed
US-5100919-A Aging resistance; food preservatives THE ROCKEFELLER UNIVERSITY (US) 1992-03-31 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 (4 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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 GRIN2D 4769/4885GRIN3B 3760/4885GRIN1 3862/4885
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 GRIN2D 3246/4885GRIN3B 2067/4885GRIN1 2587/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 GRIN2D 4244/4885GRIN3B 1965/4885GRIN1 4243/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE GRIN2D 4483/4885GRIN3B 3842/4885GRIN1 4617/4885

“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.