Sugi Predict

Sugi Predict / Compounds / SCHEMBL4037584

SCHEMBL4037584

SCHEMBL4037584

CCOC(=O)c1cc2cccc(CC)c2n1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 5/20 0.45
▸ NOD1 Q9Y239 5/20 0.45
▸ NR1H2 P55055 5/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ NR1H3 Q13133 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
SCHEMBL24894603 0.81 NOD2 (0.62) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL29827958 0.81 NOD2 (0.62) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL18984409 0.80 NOD2 (0.41) NOD2NOD1MEN1KMT2ASMN1; SMN2
SCHEMBL21685651 0.79 MAP4K1 (0.36) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL21685104 0.79 MAP4K1 (0.45) NOD2NOD1
SCHEMBL12042732 0.78 NOD2 (0.52) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL4598165 0.78 NOD2 (0.44) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL2453369 0.77 KMT2A (0.35) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL5624787 0.77 F10 (0.48) NOD2NOD1NR1H2MEN1KMT2A
SCHEMBL29631893 0.77 NR1H2 (0.40) NR1H2L3MBTL1CYP1A2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 — — EP disclosed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 — — EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 — — EP disclosed
US-7253281-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2007-08-07 — — US disclosed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 — — US disclosed
CN-1277828-C Piperzine devivs. HOFFMANN LA ROCHE (CH) 2006-10-04 — — CN disclosed
CN-1245405-C Piperazine derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 — — CN disclosed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 — — US disclosed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 — — EP disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 — — US disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 — — US disclosed
CN-1529706-A Piperazine derivatives - 2004-09-15 — — CN disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 — — EP disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 — — US disclosed
CN-1452622-A Piperzine devivs. HOFFMANN LA ROCHE (CH) 2003-10-29 — — CN disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 — — EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 — — US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 — — WO disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 — — US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 — — 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 (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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR NOD2 2769/4885NOD1 642/4885NR1H2 253/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 NOD2 3145/4885NOD1 523/4885NR1H2 336/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR NOD2 2769/4885NOD1 642/4885NR1H2 253/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 NOD2 1689/4885NOD1 1485/4885NR1H2 403/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A NOD2 3933/4885NOD1 1082/4885NR1H2 630/4885

“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.