SCHEMBL641829

SCHEMBL641829

CC(=O)N1CCCC(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTAFR P25105 1/20 0.39
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIPE Q05469 1/20 0.36
GFER P55789 2/20 0.36
PIK3CD O00329 1/20 0.35
EPHX2 P34913 2/20 0.35
CASP6 P55212 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL137219 0.91 CYP1A2 (0.50) CYP1A2TDP1SMN1; SMN2NOTUMKDM4E
SCHEMBL1304158 0.83 NOTUM (0.44) CYP1A2TDP1SMN1; SMN2NOTUMKDM4E
SCHEMBL784996 0.80 TRIM24 (0.39) TRIM24TRIM33ALDH1A1LIPE
SCHEMBL14720564 0.78 CYP1A2 (0.43) CYP1A2TDP1SMN1; SMN2NOTUMKDM4E
SCHEMBL655840 0.78 BLM (0.42) TDP1ALDH1A1L3MBTL1EPHX2
SCHEMBL27350623 0.78 CYP1A2 (0.40) CYP1A2SMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL7379323 0.77
SCHEMBL14340034 0.77 CYP1A2 (0.41) CYP1A2TDP1SMN1; SMN2NOTUMKDM4E
SCHEMBL11070126 0.77 CYP1A2 (0.50) CYP1A2TDP1SMN1; SMN2NOTUMKDM4E
SCHEMBL3948604 0.75

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
EP-1756173-B1 METHOD OF PREPARING PROPIONIC ACID-TERMINATED POLYMERS NEKTAR THERAPEUTICS (US) 2019-04-03 EP disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
US-4486433-A SLOWING HEART RATE DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-04 US disclosed
EP-0047412-B1 PYRAZINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-07-25 EP disclosed
US-4409220-A Fused-ring amino-pyrazines as bradycardiac agents DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-11 US disclosed
EP-0047412-A1 Pyrazines, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1982-03-17 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 (1 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 CYP1A2 221/4885TDP1 4800/4885SMN1; SMN2 3948/4885

“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.