SCHEMBL4049417

SCHEMBL4049417

COc1ccc2oc(OC(=O)NC(CC3CC3)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)Cc3cccnc3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.34
SMYD3 Q9H7B4 2/20 0.34
CXCR3 P49682 1/20 0.33
HTT P42858 1/20 0.33
PTAFR P25105 2/20 0.32
PIK3CG P48736 1/20 0.32
NPC1 O15118 2/20 0.32
HTRA1 Q92743 1/20 0.32
NAMPT P43490 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4046703 0.93 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4049254 0.93 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4043537 0.91 PIK3CG (0.37) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4046322 0.90 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4043842 0.89 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4045043 0.89 HPGD (0.38) ALDH1A1HPGD
SCHEMBL4043880 0.88 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL4048699 0.85 CTSK (0.40)
SCHEMBL4040754 0.85 CTSK (0.40) CHRNB2CHRNA7CHRNA4
SCHEMBL4046863 0.84 SMYD3 (0.35) CHRNB2CHRNA7CHRNA4SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111050765-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2024-01-02 CN disclosed
CN-107098846-B N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-10-09 CN disclosed
CN-111050765-A Spiro compounds and methods of making and using the same 隆德贝克拉荷亚研究中心有限公司 2020-04-21 CN 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
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
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
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
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US 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

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 CHRNB2 2890/4885CHRNA7 1044/4885CHRNA4 998/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 CHRNB2 2758/4885CHRNA7 1739/4885CHRNA4 1769/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR CHRNB2 2890/4885CHRNA7 1044/4885CHRNA4 998/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 CHRNB2 2754/4885CHRNA7 2457/4885CHRNA4 2705/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A CHRNB2 1498/4885CHRNA7 359/4885CHRNA4 551/4885

“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.