SCHEMBL8221306

SCHEMBL8221306

N#Cc1ccccc1N1CC(CN)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
GRM1 Q13255 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
DRD4 P21917 4/20 0.39
DRD2 P14416 3/20 0.39
GRM5 P41594 1/20 0.39
HTR7 P34969 2/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SSTR5 P35346 1/20 0.38
KDM4E B2RXH2 2/20 0.37
DRD3 P35462 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL8214004 0.87 BPTF (0.47) GRM2GRM1DRD4DRD2GRM5
SCHEMBL30163903 0.83 CHRM4 (0.46) GRM2DRD4DRD2GRM5HTR7
SCHEMBL8222584 0.83 CHRM4 (0.46) GRM2DRD4DRD2GRM5HTR7
SCHEMBL8005731 0.82 C5AR1 (0.41) GRM2DRD4DRD2GRM5HTR7
SCHEMBL20129652 0.80 GRM1 (0.46) GRM2GRM1SIRT2SIRT1DRD4
SCHEMBL14452892 0.78 HRH4 (0.39) ALDH1A1CHRM4
SCHEMBL8008071 0.77 CHRM4 (0.41) GRM2DRD4DRD2GRM5HTR7
SCHEMBL4635979 0.77 GRM1 (0.44) GRM2GRM1SIRT2SIRT1DRD4
SCHEMBL30619380 0.77 GRM1 (0.49) GRM2GRM1SIRT2SIRT1DRD4
SCHEMBL27488325 0.77 GRM1 (0.49) GRM2GRM1SIRT2SIRT1DRD4

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 13 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-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-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-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-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
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
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 GRM2 3502/4885GRM1 3382/4885SIRT2 1272/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF GRM2 3007/4885GRM1 3324/4885SIRT2 932/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 GRM2 3456/4885GRM1 3698/4885SIRT2 981/4885

“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.