SCHEMBL3595877

SCHEMBL3595877

C=C[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
UCHL1 P09936 1/20 0.39
EPHX1 P07099 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5848791 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL3563098 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL31148623 0.95 HSD17B10 (0.44) HSD17B10SMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL2689039 0.95 HSD17B10 (0.44) HSD17B10SMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL17770867 0.95 HSD17B10 (0.44) HSD17B10SMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL16004565 0.94 HPGD (0.46) HSD17B10SMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL31148566 0.94 HPGD (0.46) HSD17B10SMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL24757382 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2NPC1HPGDEPHX1
SCHEMBL22251831 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2NPC1HPGDEPHX1
SCHEMBL17244010 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848372-A1 FUSED TRICYCLIC PYRIDAZINONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2021-07-14 EP disclosed
EP-3504214-B1 FUSED TRICYCLIC PYRIDAZINONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2020-12-02 EP disclosed
WO-2018042303-A1 FUSED TRICYCLIC PYRIDAZINONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2018-03-08 WO disclosed
EP-1740559-B1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7361663-B2 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. (US) 2008-04-22 US disclosed
EP-1740559-A4 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO INC (US) 2007-12-12 EP disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 US disclosed
EP-1740559-A1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-01-10 EP disclosed
WO-2005103020-A1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-11-03 WO disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
US-20040267010-A1 Sulfonamide compounds, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-30 US disclosed
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
EP-1355902-A1 SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-10-29 EP disclosed
US-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. 2003-05-15 US disclosed
EP-1263726-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2002-12-11 EP disclosed
WO-2002062788-A1 SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-08-15 WO disclosed
WO-2001034567-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-17 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 (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-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 HSD17B10 3221/4885SMN1; SMN2 2944/4885NPC1 2752/4885
US-20040267010-A1 Sulfonamide compounds, their preparation and use HTR7, HTR6, SIGMAR1 HSD17B10 1634/4885SMN1; SMN2 1289/4885NPC1 2188/4885
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 HSD17B10 3221/4885SMN1; SMN2 2944/4885NPC1 2752/4885
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 HSD17B10 826/4885SMN1; SMN2 1431/4885NPC1 158/4885

“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.