SCHEMBL377791

SCHEMBL377791

CC([O])C1CCCCCN1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.44
SLC6A2 P23975 9/20 0.44
SLC6A4 P31645 8/20 0.44
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5244582 0.98
SCHEMBL23092469 0.91
SCHEMBL197629 0.91
SCHEMBL23092467 0.91
SCHEMBL4244039 0.91
SCHEMBL378211 0.83
SCHEMBL7897603 0.81 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL24375671 0.81 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL18531650 0.81 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL7126388 0.80 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US claimed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US claimed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP claimed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO claimed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO 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 (7 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-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SLC6A3 4539/4885SLC6A2 4454/4885SLC6A4 4514/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 SLC6A3 4125/4885SLC6A2 4348/4885SLC6A4 4403/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SLC6A3 4538/4885SLC6A2 4441/4885SLC6A4 4521/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SLC6A3 4538/4885SLC6A2 4441/4885SLC6A4 4521/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SLC6A3 4538/4885SLC6A2 4441/4885SLC6A4 4521/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SLC6A3 4539/4885SLC6A2 4454/4885SLC6A4 4514/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SLC6A3 4539/4885SLC6A2 4454/4885SLC6A4 4514/4885

“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.