SCHEMBL3941139

SCHEMBL3941139

O=CCN1CCCC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ACE P12821 8/20 0.41
CYP2C19 P33261 2/20 0.40
REN P00797 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.39
PEPD P12955 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
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
SCHEMBL29065238 1.00 CYP1A2 (0.41) CYP1A2ACECYP2C19RENLMNA
SCHEMBL19897428 0.94 SMN1; SMN2 (0.43) CYP1A2ACECYP2C19SMN1; SMN2
SCHEMBL19897431 0.94 SMN1; SMN2 (0.43) CYP1A2ACECYP2C19SMN1; SMN2
SCHEMBL19897439 0.94 SMN1; SMN2 (0.43) CYP1A2ACECYP2C19SMN1; SMN2
SCHEMBL15665285 0.83 CYP1A2 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL2558042 0.83 POLB (0.39) LMNASMN1; SMN2
SCHEMBL351762 0.83 CYP1A2 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL351763 0.83 CYP1A2 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL262183 0.81 SLC6A1 (0.45) CYP1A2ACECYP2C19RENLMNA
SCHEMBL31053890 0.81 CYP1A2 (0.40) CYP1A2ACECYP2C19RENLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101180290-B Hydogrenated benzo[c] thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD 2012-12-12 CN claimed
CN-101522670-B Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD 2012-05-23 CN claimed
CN-101203503-B Novel thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-12-28 CN claimed
CN-101627034-A Amino-pyridine derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2010-01-13 CN claimed
CN-101522670-A Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN claimed
CN-101511827-A Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2009-08-19 CN claimed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
CN-101203503-A Novel thiophene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-06-18 CN claimed
CN-101180290-A Hydogrenated benzo[c] thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2008-05-14 CN claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
CN-101627034-B amino-pyridine derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2013-05-15 CN disclosed
CN-101180290-B Hydogrenated benzo[c] thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD 2012-12-12 CN disclosed
CN-101522670-B Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD 2012-05-23 CN disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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 (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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 CYP1A2 174/4885ACE 30/4885CYP2C19 336/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CYP1A2 1715/4885ACE 29/4885CYP2C19 2013/4885

“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.