SCHEMBL8415329

SCHEMBL8415329

CC1(CO)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.47
DRD2 P14416 7/20 0.47
DRD3 P35462 4/20 0.46
HTR7 P34969 4/20 0.45
HTR1A P08908 3/20 0.45
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2A P28223 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
THRB P10828 2/20 0.43
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL8414814 0.85 PTPN11 (0.50) DRD4DRD2DRD3HTR7HTR1A
SCHEMBL8415326 0.85 HTR7 (0.44) DRD4DRD2DRD3HTR7HTR1A
SCHEMBL3610267 0.85 AR (0.61)
SCHEMBL23555148 0.80 ADRB1 (0.50) HTR7HTR1AALDH1A1ADRA1BLMNA
SCHEMBL8275914 0.77 HTR1A (0.46) DRD4DRD2DRD3HTR7HTR1A
SCHEMBL3088832 0.76 DRD4 (0.54) DRD4DRD2DRD3HTR7HTR1A
SCHEMBL17871760 0.76 GRM5 (0.46) DRD4DRD2DRD3HTR7HTR1A
SCHEMBL12126933 0.75 DRD2 (0.43) DRD4DRD2DRD3HTR7HTR1A
SCHEMBL8221096 0.75 ADRA1D (0.39) DRD2DRD3ALDH1A1CYP1A2ADRA1A
SCHEMBL8415328 0.74 DRD4 (0.46) DRD4DRD2DRD3GRM5KDM4E

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.