SCHEMBL8222010

SCHEMBL8222010

CC(C)(C)OC(=O)NCC1C2CN(Cc3ccccc3)CC12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.49
NPFFR2 Q9Y5X5 1/20 0.49
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SIGMAR1 Q99720 3/20 0.46
DRD2 P14416 2/20 0.45
NAMPT P43490 2/20 0.44
IDO1 P14902 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
BCHE P06276 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL4642388 0.88 NPFFR1 (0.51) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1
SCHEMBL4640529 0.88 NPFFR1 (0.51) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1
SCHEMBL4642395 0.88 NPFFR1 (0.51) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1
SCHEMBL25080814 0.88 NAMPT (0.53) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1
SCHEMBL31165348 0.85 NPFFR1 (0.49) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1
SCHEMBL8919552 0.84 KMT2A (0.57) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1
SCHEMBL20799622 0.83 KMT2A (0.49) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1
SCHEMBL4520311 0.82 NPFFR1 (0.47) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1
SCHEMBL2088231 0.82 NPFFR1 (0.47) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1
SCHEMBL4514743 0.82 NPFFR1 (0.47) NPFFR1NPFFR2KMT2AL3MBTL1SIGMAR1

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-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-7750158-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-07-06 US disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 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
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 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 (4 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 NPFFR1 3067/4885NPFFR2 3704/4885KMT2A 3890/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF NPFFR1 2543/4885NPFFR2 2705/4885KMT2A 3845/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 NPFFR1 2846/4885NPFFR2 2992/4885KMT2A 4171/4885
US-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 NPFFR1 4195/4885NPFFR2 3233/4885KMT2A 55/4885

“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.