SCHEMBL4035938

SCHEMBL4035938

O=C(NCCCN1CCCC1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
HTR7 P34969 2/20 0.43
CACNA1B Q00975 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD3 P35462 3/20 0.41
FAAH O00519 2/20 0.41
KDM2B Q8NHM5 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 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
SCHEMBL4036708 0.98 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4030753 0.94 HTR7 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4036392 0.94 POLB (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4030884 0.89 CYP3A4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4032887 0.88 ITGB2 (0.46) ALDH1A1GAATSHRKMT2A
SCHEMBL4032860 0.88 MAPK1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4036029 0.88 IL1B (0.42) CACNA1BPOLBALDH1A1TSHRMMP1
SCHEMBL4842900 0.88 FFAR4 (0.43) ALDH1A1KDM2BMMP1MMP2MMP9
SCHEMBL4841693 0.87 FFAR4 (0.43) DRD3FAAHKDM2BMMP1MMP2
SCHEMBL4034006 0.87 MMP1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109855-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY (IL) 2024-04-04 US disclosed
EP-4277896-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B.G. Negev Technologies and Applications Ltd., at Ben-Gurion University (IL) 2023-11-22 EP disclosed
WO-2022153306-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2022-07-21 WO disclosed
EP-1725241-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP disclosed
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
US-20070185088-A1 M3 muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1725241-A1 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
EP-1119563-B1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2006-02-01 EP disclosed
WO-2005094835-A1 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 US disclosed
US-6605607-B1 Antihypertensives; hyperprolactinaemia related conditions; certain central nervous system disorders SMITHKLINE BEECHAM P.L.C. (GB) 2003-08-12 US disclosed
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
EP-1119563-A1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2001-08-01 EP disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
WO-2000021951-A1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 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-20240109855-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME FPR1, FPR2, IL1B PSEN1 1864/4885PSEN2 2002/4885APH1B 598/4885
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HRH3, HRH2, HRH4 PSEN1 2154/4885PSEN2 1458/4885APH1B 1559/4885
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 PSEN1 100/4885PSEN2 309/4885APH1B 926/4885
US-20070185088-A1 M3 muscarinic acetylchoine receptor antagonists CHRM3, CHRM2, CHRM5 PSEN1 4601/4885PSEN2 4261/4885APH1B 3233/4885

“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.