SCHEMBL2224084

SCHEMBL2224084

N#CCN1CCCC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
ACE P12821 8/20 0.40
CYP2C19 P33261 2/20 0.40
REN P00797 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.38
PEPD P12955 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2A P28223 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH1 P35367 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2224080 1.00 CYP1A2 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL6020379 0.88 ALDH1A1 (0.37) CYP1A2ACECYP2C19RENLMNA
SCHEMBL5872381 0.84 AR (0.39) LMNA
SCHEMBL2355066 0.83 ACE (0.42) CYP1A2ACECYP2C19RENLMNA
SCHEMBL11617703 0.82 HSD11B1 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL11617700 0.82 HSD11B1 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL16491169 0.81 CYP1A2 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL16967415 0.81 CYP1A2 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL2224182 0.80 LTA4H (0.43) LTA4HPEPD
SCHEMBL2224603 0.80 LTA4H (0.43) LTA4HPEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
EP-4271676-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE Bionova Pharmaceuticals (Shanghai) Limited (CN) 2023-11-08 EP disclosed
WO-2023098876-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE BIONOVA PHARMACEUTICALS (SHANGHAI) LIMITED (CN) 2023-06-08 WO disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP disclosed
US-4788212-A Pyrrolidin-2-one derivatives having nootropic activity GIBIPHARMA S.P.A. (IT) 1988-11-29 US disclosed
EP-0255149-A1 Pyrrolidin-2-one derivatives having nootropic activity GIBIPHARMA S.p.A. (IT) 1988-02-03 EP 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 (2 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CYP1A2 3116/4885ACE 3223/4885CYP2C19 3832/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 CYP1A2 73/4885ACE 3099/4885CYP2C19 121/4885

“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.