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
SCHEMBL19897431 0.94 SMN1; SMN2 (0.43) CYP1A2ACECYP2C19SMN1; SMN2
SCHEMBL19897428 0.94 SMN1; SMN2 (0.43) CYP1A2ACECYP2C19SMN1; SMN2
SCHEMBL19897439 0.94 SMN1; SMN2 (0.43) CYP1A2ACECYP2C19SMN1; SMN2
SCHEMBL2558042 0.83 POLB (0.39) LMNASMN1; SMN2
SCHEMBL351763 0.83 CYP1A2 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL15665285 0.83 CYP1A2 (0.40) CYP1A2ACECYP2C19RENLMNA
SCHEMBL351762 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.

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