SCHEMBL6745825

SCHEMBL6745825

CCN(CCN(C)C)S(=O)(=O)c1[c]cccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
SERPINE1 P05121 1/20 0.39
HTT P42858 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL8749746 0.87 HTT (0.46) HTTLMNASMN1; SMN2TSHRALDH1A1
SCHEMBL11418675 0.84 TSHR (0.46) SERPINE1HTTLMNASMN1; SMN2TSHR
SCHEMBL6751428 0.84 HTR2A (0.59) HTR2AHTR2CSLC6A4SMN1; SMN2TSHR
SCHEMBL6752244 0.82 HTR2A (0.36) HTR2AHTR2CSLC6A4SMN1; SMN2TDP1
SCHEMBL10613927 0.82 CNR2 (0.45) SERPINE1LMNASMN1; SMN2TSHRTDP1
SCHEMBL483161 0.80 CA12 (0.43) LMNASMN1; SMN2ALDH1A1L3MBTL1TDP1
SCHEMBL6683735 0.78 TDP1 (0.47) HTTLMNASMN1; SMN2TSHRL3MBTL1
SCHEMBL6745866 0.76 HDAC4 (0.36) HTR2AHTR2CSLC6A4ALDH1A1TDP1
SCHEMBL11420929 0.75 CNR2 (0.44) SERPINE1TDP1NPC1RAB9A
SCHEMBL11426081 0.75 CNR2 (0.44) SERPINE1TDP1NPC1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6706765-B2 ESPECIALLY TRYPSIN-LIKE SERINE PROTEASES, SUCH AS CHYMOTRYPSIN, TRYPSIN, THROMBIN, PLASMIN AND FACTOR XA. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US disclosed
US-6635637-B2 Cyclic oxyguanidine derivatives useful as enzyme inhibitors, and particularly to a new class of non- peptidic inhibitors of proteolytic enzymes; treats pancreatitis, thrombosis, ischemia, stroke, restenosis, emphysema and inflammation DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-21 US disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 US disclosed
EP-1307432-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-05-07 EP disclosed
US-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed
US-20020022615-A1 Cyclic oxyguanidine protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-21 US disclosed
WO-2002012207-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-02-14 WO disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 HTR2A 1236/4885HTR2C 2676/4885SLC6A4 1686/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 HTR2A 1000/4885HTR2C 2203/4885SLC6A4 1647/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 HTR2A 1077/4885HTR2C 2506/4885SLC6A4 1625/4885
US-20020022615-A1 Cyclic oxyguanidine protease inhibitors PLG, TFPI, PLAT HTR2A 1232/4885HTR2C 2045/4885SLC6A4 3046/4885

“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.