SCHEMBL8221301

SCHEMBL8221301

O=C(NCC1CCN(Cc2ccccc2)C1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPFFR2 Q9Y5X5 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ DRD2 P14416 6/20 0.46
▸ DRD4 P21917 6/20 0.46
▸ DRD3 P35462 6/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ HDAC3 O15379 3/20 0.46
▸ HDAC4 P56524 3/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC7 Q8WUI4 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC10 Q969S8 3/20 0.46
▸ HDAC11 Q96DB2 3/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC9 Q9UKV0 3/20 0.46
▸ HDAC5 Q9UQL6 3/20 0.46
▸ ADAM17 P78536 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL8223675 0.83 DRD2 (0.47) NPFFR2BCHEDRD2DRD4DRD3
SCHEMBL8217505 0.81 HDAC3 (0.48) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8217375 0.79 ADAM17 (0.58) NAMPTHDAC8ADAM17TDP1MEN1
SCHEMBL8224645 0.78 ALDH1A1 (0.55) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8275600 0.78 ADAM17 (0.45) NAMPTADAM17MEN1KMT2A
SCHEMBL12216296 0.78 ADAM17 (0.48) NAMPTHDAC8ADAM17MEN1KMT2A
SCHEMBL4139290 0.77 HDAC3 (0.60) BCHEDRD2DRD4DRD3HDAC3
SCHEMBL1220329 0.77 HDAC3 (0.60) BCHEDRD2DRD4DRD3HDAC3
SCHEMBL8213991 0.77 ADAM17 (0.55) DRD2DRD4NAMPTADAM17MEN1
SCHEMBL13544350 0.76 ADAM17 (0.47) NAMPTADAM17MEN1KMT2A

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 14 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
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 (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 NPFFR2 3704/4885BCHE 696/4885DRD2 4708/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF NPFFR2 2705/4885BCHE 982/4885DRD2 4856/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 NPFFR2 2992/4885BCHE 723/4885DRD2 4763/4885

“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.

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