SCHEMBL349335

SCHEMBL349335

CC1CCN(C(=N)N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.50
PHGDH O43175 1/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 1/20 0.43
CPN1 P15169 1/20 0.43
CPB2 Q96IY4 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.38
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9061263 1.00 F2 (0.50) F2PHGDHMGLLALDH1A1NPC1
SCHEMBL21675647 0.91 F2 (0.46) F2PHGDHMGLLALDH1A1NPC1
SCHEMBL15927302 0.86
SCHEMBL16945637 0.86
SCHEMBL24052080 0.79 PHGDH (0.50) PHGDHMGLLALDH1A1NPC1MEN1
SCHEMBL15538127 0.78 LMNA (0.53) PHGDHMGLLALDH1A1NPC1MEN1
SCHEMBL9059677 0.77 F2 (0.52) F2CPN1CPB2GAA
SCHEMBL3319860 0.77 F2 (0.52) F2CPN1CPB2GAA
SCHEMBL2527566 0.77 F2 (0.52) F2CPN1CPB2GAA
SCHEMBL1149395 0.77 PHGDH (0.48) PHGDHMGLLALDH1A1NPC1CPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US claimed
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US claimed
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP claimed
CN-116178345-A Substituted pyrimidinyl-pyridinyl-pyridone compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-05-30 CN disclosed
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-10030019-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors FEDORA PHARMACEUTICALS INC. (CA) 2018-07-24 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
EP-2831075-B1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2017-11-08 EP disclosed
US-20170283403-A1 DIAMIDE MACROCYCLES THAT ARE FXIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-05 US disclosed
US-9709571-B2 Method of drug design VAST BIOSCIENCE PTY LIMITED (AU) 2017-07-18 US disclosed
US-6436920-B1 AN ANTIWRINKLE AND ANTIAGING AGENT (COSMETIC SKIN CARE AGENT) COMPRISING A GUANIDINE DERIVATIVE KAO CORPORATION (JP) 2002-08-20 US disclosed
US-20020022611-A1 Wrinkling modifiers KAO CORPORATION (JP) 2002-02-21 US disclosed
US-6306848-B1 SKIN TREATMENT KAO CORPORATION (JP) 2001-10-23 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed
EP-0965327-A1 WRINKLING MODIFIERS Kao Corporation (JP) 1999-12-22 EP disclosed
CN-1233168-A Wrinkle-improving agent KAO CORP (JP) 1999-10-27 CN disclosed
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP 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-20170283403-A1 DIAMIDE MACROCYCLES THAT ARE FXIA INHIBITORS TFPI, TFPI2, F2 F2 3/4885PHGDH 2007/4885MGLL 2916/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F2 5/4885PHGDH 2907/4885MGLL 1316/4885
US-10030019-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors NR0B1, NR2E1, NR0B2 F2 2853/4885PHGDH 3449/4885MGLL 2618/4885
US-20020022611-A1 Wrinkling modifiers AZI2, ARG1, CUTA F2 3373/4885PHGDH 3287/4885MGLL 852/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 F2 5/4885PHGDH 2907/4885MGLL 1316/4885

“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.