SCHEMBL8415328

SCHEMBL8415328

CCOC(=O)C1(C)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
OPRM1 P35372 4/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
KCNH2 Q12809 1/20 0.45
GRM5 P41594 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL8274670 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8221296 0.79 OPRM1 (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28704750 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL20141633 0.77 DRD4 (0.46) DRD4DRD3ALDH1A1GAAL3MBTL1
SCHEMBL7523188 0.76 HPGD (0.58) ALDH1A1KDM4EHIF1AGAASMN1; SMN2
SCHEMBL20139931 0.75 LMNA (0.43) DRD4DRD2DRD3ALDH1A1GAA
SCHEMBL20157436 0.75 ALDH1A1 (0.42) DRD4ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL8415329 0.74 DRD4 (0.47) DRD4DRD2DRD3ADRA1AGRM5
SCHEMBL31042537 0.74 CHRM4 (0.46) DRD4DRD2DRD3GRM5ALDH1A1
SCHEMBL20157438 0.74 ALDH1A1 (0.41) DRD4ALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 DRD4 4679/4885DRD2 4708/4885DRD3 4344/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF DRD4 4858/4885DRD2 4856/4885DRD3 4778/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 DRD4 4770/4885DRD2 4763/4885DRD3 4533/4885

“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.