SCHEMBL8414814

SCHEMBL8414814

CC1(CN)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.50
HTR7 P34969 5/20 0.44
HTR1A P08908 4/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
DRD2 P14416 4/20 0.42
DRD4 P21917 3/20 0.41
GRM5 P41594 1/20 0.41
DRD3 P35462 1/20 0.41
AR P10275 2/20 0.39
ADRA1D P25100 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
SCHEMBL8415326 0.85 HTR7 (0.44) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL8415329 0.85 DRD4 (0.47) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL8275914 0.77 HTR1A (0.46) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL3088832 0.76 DRD4 (0.54) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL8275913 0.76 PTPN11 (0.40) PTPN11HTR1AADRA1AADRA1BADRA1D
SCHEMBL17871760 0.76 GRM5 (0.46) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL12126933 0.75 DRD2 (0.43) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL829177 0.73 AR (0.65) HTR1AADRA1AADRA1BDRD2DRD4
SCHEMBL30406641 0.73 AR (0.59) HTR1AADRA1AADRA1BDRD2DRD4
SCHEMBL30163903 0.72 CHRM4 (0.46) HTR7DRD2DRD4GRM5DRD3

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 6 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-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 PTPN11 3014/4885HTR7 4310/4885HTR1A 4466/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF PTPN11 2797/4885HTR7 3965/4885HTR1A 4159/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 PTPN11 2819/4885HTR7 3819/4885HTR1A 4317/4885

“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.