SCHEMBL2082286

SCHEMBL2082286

CCC1(c2ccc(Cl)cc2)OCC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
CHRNA1 P02708 2/20 0.39
CHRNG P07510 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNB2 P17787 2/20 0.39
SLC6A2 P23975 2/20 0.39
CHRNB4 P30926 2/20 0.39
SLC6A4 P31645 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRND Q07001 2/20 0.39
HMOX1 P09601 2/20 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
SCHEMBL28604796 0.87 CHRNA1 (0.37) GRIN1GRIN2ACHRNA1CHRNGCHRNB1
SCHEMBL28604802 0.87 CHRNA1 (0.37) GRIN1GRIN2ACHRNA1CHRNGCHRNB1
SCHEMBL11245526 0.85 HMOX1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11234350 0.82 HMOX1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11235482 0.82 HMOX1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL28599786 0.75 HSP90AA1 (0.59) SLC6A2SLC6A4SLC6A3HMOX1
SCHEMBL28604622 0.75 HSP90AA1 (0.59) SLC6A2SLC6A4SLC6A3HMOX1
SCHEMBL11545641 0.75 HSP90AA1 (0.59) SLC6A2SLC6A4SLC6A3HMOX1
SCHEMBL9876435 0.75 CHRNA1 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL28608942 0.75 SLC6A3 (0.38) GRIN1GRIN2ACHRNA1CHRNGCHRNB1

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
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 EP claimed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 US claimed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 EP claimed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 WO claimed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 US disclosed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 US disclosed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 US disclosed
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 US disclosed
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 US disclosed
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 US disclosed
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 EP disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 US disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 US disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 US disclosed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 EP disclosed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 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 (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-20070010563-A1 Novel methods for the treatment of inflammatory diseases MIF, CCL2, CCL11 GRIN1 2230/4885GRIN2A 3380/4885CHRNA1 4711/4885
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases MIF, CCL2, CCL11 GRIN1 2230/4885GRIN2A 3380/4885CHRNA1 4711/4885

“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.